SCHEMBL8399036

SCHEMBL8399036

OC1(c2ccc3cc(OCCc4ccccc4)ccc3c2)CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 9/20 0.45
MAOB P27338 9/20 0.45
SLC16A3 O15427 1/20 0.44
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
FFAR1 O14842 1/20 0.40
ALOX5 P09917 1/20 0.40
CYP2D6 P10635 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL8395673 0.88 ALOX5 (0.54) MAOAMAOBKDM4EKMT2AALOX5
SCHEMBL8400506 0.82 KMT2A (0.61) KDM4EKMT2AOPRM1SLC6A2SLC6A4
SCHEMBL8395822 0.82 TSHR (0.43) MAOAMAOBKMT2ASLC6A2SLC6A4
SCHEMBL8397950 0.79 DRD2 (0.44) KDM4EOPRM1CYP2D6SLC6A2SLC6A4
SCHEMBL8396301 0.79 DRD2 (0.44) MAOAMAOBKMT2A
SCHEMBL2272581 0.77 DRD2 (0.53) KDM4EKMT2ACYP2D6SLC6A2SLC6A4
SCHEMBL6730322 0.74 DRD2 (0.47) KMT2AOPRM1OPRD1OPRK1
SCHEMBL6425545 0.73 ALOX5 (0.67) MAOAMAOBSLC16A3KDM4ENPC1
SCHEMBL8395305 0.72 HTR1A (0.50) KMT2ARAB9AOPRM1OPRD1OPRK1
SCHEMBL9374661 0.72 MAOA (0.51) MAOAMAOBOPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5912256-A 0-(4-INDOLYLOXY)-3-(4-HYDROXY-4-NAPHTHYLPIPERIDIN-1-YL)PROPANE S ELI LILLY AND COMPANY (US) 1999-06-15 US disclosed
EP-0814084-A1 Indole derivatives as 5-HT1A antagonists and as inhibitors of serotonine reuptake ELI LILLY AND COMPANY (US) 1997-12-29 EP disclosed
WO-1997048698-A1 COMPOUNDS HAVING EFFECTS ON SEROTONIN-RELATED SYSTEMS ELI LILLY AND COMPANY (US) 1997-12-24 WO disclosed