SCHEMBL9730899

SCHEMBL9730899

COc1ccc(CN=C(Cc2ccccc2)N2CC3C(=O)CCC(c4ccccc4)(c4ccccc4)C3C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.55
MEN1 O00255 2/20 0.55
MAPT P10636 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.55
CYP2C19 P33261 1/20 0.55
CXCR3 P49682 1/20 0.40
SOAT1 P35610 1/20 0.38
ALDH1A1 P00352 3/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 1/20 0.37
SIGMAR1 Q99720 5/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
HPGD P15428 1/20 0.34
CHRM5 P08912 1/20 0.34

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
SCHEMBL9730197 0.92 TACR1 (0.53) TACR1MEN1MAPTKMT2ACYP3A4
SCHEMBL9730566 0.91 TACR1 (0.54) TACR1MEN1MAPTKMT2ACYP3A4
SCHEMBL9730365 0.88 TACR1 (0.51) TACR1MEN1MAPTKMT2ACYP3A4
SCHEMBL9730495 0.85 TACR1 (0.55) TACR1MEN1MAPTKMT2ACYP3A4
SCHEMBL9730371 0.84 TACR1 (0.54) TACR1MEN1MAPTKMT2ACYP3A4
SCHEMBL9729350 0.83 TACR1 (0.53) TACR1MEN1MAPTKMT2ACYP3A4
SCHEMBL9730461 0.83 TSHR (0.47) TACR1MEN1MAPTKMT2ACYP3A4
SCHEMBL9729715 0.83 MEN1 (0.47) TACR1MEN1MAPTKMT2ACYP3A4
SCHEMBL9729223 0.83 TACR1 (0.56) TACR1MEN1MAPTKMT2ACYP3A4
SCHEMBL9730151 0.82 TACR1 (0.52) TACR1MEN1MAPTKMT2ACYP3A4

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
US-5102667-A Antiallergens, antiinflammatory agents, nervous system disorders, immunology, psychological disorders RHONE-POULENC SANTE (FR) 1992-04-07 US disclosed