SCHEMBL30646808

SCHEMBL30646808

COc1cccc(CN2C[C@H](CC(=O)O)C[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.45
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
FAAH O00519 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
SRPK1 Q96SB4 1/20 0.42
CACNA1G O43497 1/20 0.42
S1PR1 P21453 2/20 0.41
S1PR5 Q9H228 2/20 0.41
PDGFRA P16234 1/20 0.41

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
SCHEMBL30646811 0.92 CCR2 (0.46) CCR2MEN1KMT2AFAAHKDM4E
SCHEMBL29617629 0.92 CCR2 (0.46) CCR2MEN1KMT2AFAAHKDM4E
SCHEMBL30646815 0.91 KMT2A (0.48) CCR2MEN1KMT2ACTDSP1KDM4E
SCHEMBL30646806 0.88 MEN1 (0.48) CCR2MEN1KMT2AMAPTCACNA1G
SCHEMBL30646807 0.88 MEN1 (0.48) CCR2MEN1KMT2AMAPTCACNA1G
SCHEMBL29617640 0.88 S1PR5 (0.52) MEN1KMT2AFAAHSIGMAR1KDM4E
SCHEMBL29087678 0.86 CHRM2 (0.52) FAAHSIGMAR1S1PR1S1PR5
SCHEMBL29087681 0.86 CHRM2 (0.52) FAAHSIGMAR1S1PR1S1PR5
SCHEMBL29087736 0.84 CHRM2 (0.46) FAAHSIGMAR1KDM4EALDH1A1S1PR1
SCHEMBL29617639 0.84 CHRM2 (0.46) FAAHSIGMAR1KDM4EALDH1A1S1PR1

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-116710431-A Small molecule compounds and compositions 泰洛治疗公司 2023-09-05 CN disclosed