SCHEMBL31414697

SCHEMBL31414697

COc1cc(C2CC2)c(OC)nc1CCN

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.50
HTR2C P28335 4/20 0.39
HTR2B P41595 3/20 0.39
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TAAR1 Q96RJ0 5/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 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
SCHEMBL26612257 1.00 HTR2A (0.50) HTR2AHTR2CHTR2BKDM4EATM
SCHEMBL26612124 0.80 HTR2A (0.40) HTR2ATAAR1
SCHEMBL31414705 0.80 HTR2A (0.40) HTR2ATAAR1
SCHEMBL26611981 0.78 HTR2A (0.35) HTR2ATAAR1
SCHEMBL31414703 0.78 HTR2A (0.35) HTR2ATAAR1
SCHEMBL26611482 0.78 MTNR1A (0.43)
SCHEMBL31414679 0.76 TAAR1 (0.50) HTR2AHTR2CHTR2BKDM4EATM
SCHEMBL31414692 0.76 TAAR1 (0.53) HTR2AHTR2CHTR2BKDM4EATM
SCHEMBL26611762 0.76 TAAR1 (0.53) HTR2AHTR2CHTR2BKDM4EATM
SCHEMBL26612035 0.76 TAAR1 (0.50) HTR2AHTR2CHTR2BKDM4EATM

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
CN-119522098-A Pyridine derivatives for the treatment of psychotic disorders 吉尔伽美什制药公司 2025-02-25 CN disclosed