SCHEMBL8395673

SCHEMBL8395673

OC1(c2ccc3cc(OCc4ccccc4)ccc3c2)CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.54
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
SRD5A2 P31213 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
TACR1 P25103 1/20 0.43
CYP3A4 P08684 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL8399036 0.88 MAOA (0.45) ALOX5KDM4EMAOAMAOBKMT2A
SCHEMBL8397950 0.81 DRD2 (0.44) KDM4ECYP1A2CYP2C9CYP3A4
SCHEMBL8395822 0.79 TSHR (0.43) MAOAMAOBKMT2A
SCHEMBL2272581 0.79 DRD2 (0.53) KDM4ECYP1A2CYP2C9CYP3A4KMT2A
SCHEMBL321366 0.78 KDM1A (0.43) ALOX5CYP1A2MAOAMAOB
Ethane SCHEMBL11640556 0.78 MAOB (0.46) ALOX5KDM4EALDH1A1MAOBTACR1
SCHEMBL6730322 0.76 DRD2 (0.47) CYP1A2KMT2A
SCHEMBL8396301 0.76 DRD2 (0.44) MAOAMAOBKMT2A
Hydrochloric Acid SCHEMBL2523744 0.75 OPRM1 (0.56) CYP1A2MAOAMAOBTACR1
SCHEMBL16553890 0.75 LMNA (0.56) CYP1A2MAOAMAOB

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 2 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