SCHEMBL7867965

SCHEMBL7867965

Cc1ccc2c(C3=CCNCC3)c[nH]c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.65
KDM4E B2RXH2 5/20 0.65
ALDH1A1 P00352 5/20 0.65
HSD17B10 Q99714 4/20 0.65
MAPT P10636 4/20 0.65
DRD2 P14416 1/20 0.65
ALOX15 P16050 1/20 0.65
HTR6 P50406 5/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
HTR1D P28221 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
MAPK1 P28482 1/20 0.59
BRCA1 P38398 1/20 0.59
CYP2C9 P11712 2/20 0.49
HPGD P15428 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2D6 P10635 1/20 0.49
JAK2 O60674 1/20 0.48

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
SCHEMBL6631651 0.89 KDM4E (0.70) HTR2CKDM4EALDH1A1HSD17B10MAPT
SCHEMBL5845143 0.83 HTR2C (0.65) HTR2CKDM4EALDH1A1HSD17B10MAPT
SCHEMBL6599102 0.83 HTR2C (0.65) HTR2CKDM4EALDH1A1HSD17B10MAPT
SCHEMBL7864917 0.82 HTR6 (0.81) HTR2CKDM4EALDH1A1HSD17B10MAPT
SCHEMBL7867550 0.80 HTR2C (0.60) HTR2CKDM4EALDH1A1HSD17B10MAPT
SCHEMBL653742 0.79 KDM4E (1.00) HTR2CKDM4EALDH1A1HSD17B10MAPT
SCHEMBL29379037 0.79 KDM4E (1.00) HTR2CKDM4EALDH1A1HSD17B10MAPT
SCHEMBL7867354 0.78 KDM4E (0.58) HTR2CKDM4EALDH1A1HSD17B10MAPT
SCHEMBL7870665 0.77 MAPT (0.46) HTR2CKDM4EALDH1A1HSD17B10MAPT
SCHEMBL15787045 0.77 IMPDH2 (0.58) HTR2CKDM4EALDH1A1HSD17B10MAPT

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015082499-A2 PHARMACEUTICAL COMPOUND IOMET PHARMA LTD (GB) 2015-06-11 WO disclosed
EP-1077213-A2 Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 2001-02-21 EP disclosed
US-6172073-B1 BENZIMIDAZOLYLOXY ALKANAMINES AS SEROTONIN REUPTAKE INHIBITORS; NICOTINE AND TOBACCO WITHDRAWAL; PSYCHOLOGICAL, EATING, BRAIN, GASTROINTESTINAL, SLEEP, AND SEXUAL DISORDERS ELI LILLY AND COMPANY 2001-01-09 US disclosed
US-6046215-A A PIPERIDINYLBENZOTHIOPHENES USEFUL FOR TRATING BRAIN DISORDERS ELI LILLY AND COMPANY (US) 2000-04-04 US disclosed
US-5846982-A Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 1998-12-08 US disclosed
US-5789402-A Compounds having effects on serotonin-related systems ELI LILLY COMPANY (US) 1998-08-04 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
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
EP-0722941-A2 Compounds having effects on serotonin-related systems ELI LILLY AND COMPANY (US) 1996-07-24 EP disclosed
US-5457115-A Treating anxiety, depression, sleep disorders, migranes, schizophrenia or Parkinson's disease in humans H. LUNDBECK A/S (DK) 1995-10-10 US disclosed
EP-0465398-B1 Novel indole derivatives LUNDBECK & CO AS H (DK) 1994-12-14 EP disclosed
US-5322851-A Indole derivatives H. LUNDBECK A/S (DK) 1994-06-21 US disclosed
US-5216001-A Central nervous system disorders H. LUNBECK A/S (DK) 1993-06-01 US disclosed
EP-0465398-A2 Novel indole derivatives H. LUNDBECK A/S (DK) 1992-01-08 EP disclosed