SCHEMBL6599102

SCHEMBL6599102

Clc1ccc2c(C3=CCNCC3)c[nH]c2c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.65
MAPT P10636 3/20 0.65
KDM4E B2RXH2 3/20 0.65
ALDH1A1 P00352 3/20 0.65
HSD17B10 Q99714 3/20 0.65
DRD2 P14416 1/20 0.65
ALOX15 P16050 1/20 0.65
HTR6 P50406 6/20 0.56
MEN1 O00255 2/20 0.55
HTR1D P28221 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
MAPK1 P28482 1/20 0.55
BRCA1 P38398 1/20 0.55
SIGMAR1 Q99720 1/20 0.51
HTR2A P28223 2/20 0.50
HTR1B P28222 1/20 0.50
HTR7 P34969 1/20 0.50
HTR3A P46098 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2783986 0.89 HTR6 (0.67) HTR2CMAPTKDM4EALDH1A1HSD17B10
SCHEMBL7867965 0.83 HTR2C (0.65) HTR2CMAPTKDM4EALDH1A1HSD17B10
SCHEMBL5845143 0.83 HTR2C (0.65) HTR2CMAPTKDM4EALDH1A1HSD17B10
SCHEMBL7864917 0.80 HTR6 (0.81) HTR2CMAPTKDM4EALDH1A1HSD17B10
SCHEMBL7867550 0.80 HTR2C (0.60) HTR2CMAPTKDM4EALDH1A1HSD17B10
SCHEMBL7215920 0.79 HTR2C (0.47) HTR2CMAPTKDM4EALDH1A1HSD17B10
SCHEMBL29379037 0.79 KDM4E (1.00) HTR2CMAPTKDM4EALDH1A1HSD17B10
SCHEMBL653742 0.79 KDM4E (1.00) HTR2CMAPTKDM4EALDH1A1HSD17B10
SCHEMBL16802081 0.78 HTR2C (0.55) HTR2CMAPTKDM4EALDH1A1HSD17B10
SCHEMBL7216278 0.78 HTR2C (0.46) HTR2CMAPTKDM4EALDH1A1HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106045967-B Substituted heterocyclic compounds and their use in medicine 广东东阳光药业有限公司 2020-04-21 CN disclosed
WO-2015082499-A2 PHARMACEUTICAL COMPOUND IOMET PHARMA LTD (GB) 2015-06-11 WO disclosed
CN-1282644-C Indane or indoline derivative LUNDBECK & CO AS H (DK) 2006-11-01 CN disclosed
CN-1264838-C Indole derivatives for treating central nervous system disease LUNDBECK & CO AS H (DK) 2006-07-19 CN disclosed
CN-1244558-C 1,2-indane or indoline derivative LUNDBECK & CO AS H (DK) 2006-03-08 CN disclosed
EP-1392697-B1 ANTIDEPRESSANT AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO 2,3-F]QUINOLINE WYETH CORP (US) 2004-11-03 EP disclosed
CN-1515551-A 1,2-indane or indoline derivative H.¡�±������޹�˾ 2004-07-28 CN disclosed
US-6767907-B2 FOR THERAPY OF PSYCHIC AND NEUROLOGIC DISORDERS H. LUNDBECK A/S (DK) 2004-07-27 US disclosed
US-6743808-B1 PSYCHOLOGICAL AND NEUROLOGIC DISORDERS; CENTRAL SEROTONERGIC 5-HT1A AND 5-HT2A RECEPTOR ANTAGONISTS H. LUNDBECK A/S (DK) 2004-06-01 US disclosed
US-6743809-B2 Indole Derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2004-06-01 US disclosed
US-5741789-A HETERO-OXY ALKANAMINES ELI LILLY AND COMPANY (US) 1998-04-21 US disclosed
CN-1178530-A Compounds having an effect on 5-hydroxytryptamine related systems LILLY CO ELI (US) 1998-04-08 CN disclosed
WO-1997047302-A1 INHIBITION OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1997-12-18 WO disclosed
EP-0812826-A1 1H-indole and benzo(b)thiophene derivatives with 4-(1,2,3,6-tetra:hydro:pyridinyl)- and 4-piperidinyl-groups bound to the heterocyclic ring as inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1997-12-17 EP disclosed
CN-1154105-A 4-aryl-1-(indanmethyl, dihydrobenzofuranmethyl or dihydrobenzothiophenemethyl) piperidines, tetrahydropyridines or piperazines LUNDBECK & CO AS H (DK) 1997-07-09 CN disclosed
US-5627196-A ANTIDEPRESSANTS AND ANTISEROTONIN AGENTS ELI LILLY AND COMPANY (US) 1997-05-06 US disclosed
US-5614523-A INDOLYLOXY COMPOUNDS ELI LILLY AND COMPANY (US) 1997-03-25 US disclosed
US-5576321-A ALKOXY-SUBSTITUTED INDOLES ELI LILLY AND COMPANY (US) 1996-11-19 US disclosed
WO-1996022290-A1 COMPOUNDS HAVING EFFECTS ON SEROTONIN-RELATED SYSTEMS ELI LILLY AND COMPANY (US) 1996-07-25 WO disclosed
EP-0722941-A2 Compounds having effects on serotonin-related systems ELI LILLY AND COMPANY (US) 1996-07-24 EP disclosed