SCHEMBL8819830

SCHEMBL8819830

CCc1ccc2cc(C3=CCNCC3)[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.43
DAO P14920 1/20 0.43
CCNT1 O60563 4/20 0.38
CDK9 P50750 4/20 0.38
HTR2C P28335 6/20 0.37
HTR2A P28223 4/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
RAD52 P43351 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
HTR7 P34969 4/20 0.37
HTR1B P28222 1/20 0.37
HTR3A P46098 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
QDPR P09417 1/20 0.36

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
SCHEMBL7859749 0.89 HTR6 (0.45) HTR6CCNT1CDK9HTR2CHTR2A
SCHEMBL7867988 0.85 DAO (0.37) HTR6DAOHTR2CHTR2AMAPT
SCHEMBL7876549 0.79 SIGMAR1 (0.53) HTR6DAOCCNT1CDK9HTR2C
SCHEMBL5138986 0.77 SIGMAR1 (0.51) HTR6CCNT1CDK9HTR2CHTR2A
SCHEMBL8019719 0.76 MAPT (0.39) HTR6HTR2CHTR2AMAPTKDM4E
SCHEMBL7859769 0.75 HTR6 (0.37) HTR6HTR2CSIGMAR1QDPR
SCHEMBL9974662 0.73 HTR2C (0.59) HTR6HTR2CSIGMAR1QDPR
SCHEMBL7867959 0.72 HTR6 (0.48) HTR6DAOCCNT1CDK9HTR2C
SCHEMBL6707999 0.71 QDPR (0.49) HTR6HTR2CMAPTKDM4EALDH1A1
SCHEMBL4568028 0.69 NPC1 (0.58) DAOMAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997047302-A1 INHIBITION OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1997-12-18 WO disclosed