SCHEMBL31368898

SCHEMBL31368898

CCOC(=O)c1ccc(N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)nc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.50
HRH3 Q9Y5N1 1/20 0.48
ATM Q13315 1/20 0.46
CRBN Q96SW2 1/20 0.46
RET P07949 5/20 0.45
GPR119 Q8TDV5 3/20 0.44
OGA O60502 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
EIF2AK4 Q9P2K8 1/20 0.40

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
SCHEMBL2427846 0.87 P2RY12 (0.62) P2RY12HRH3ATMCRBNRET
SCHEMBL8085019 0.85 P2RY12 (0.50) P2RY12HRH3ATMCRBNRET
SCHEMBL1010764 0.84 HRH3 (0.50) P2RY12HRH3ATMCRBNGPR119
SCHEMBL16846258 0.81 P2RY12 (0.52) P2RY12HRH3CRBNOGASMN1; SMN2
SCHEMBL5216155 0.81 HRH3 (0.64) P2RY12HRH3GPR119SMN1; SMN2HPGD
SCHEMBL27413018 0.80 MEN1 (0.44) ATMRETGPR119SMN1; SMN2NPSR1
SCHEMBL1640736 0.80 CRBN (0.54) HRH3CRBNRETHPGDALDH1A1
SCHEMBL32679621 0.80 ACACB (0.46) ATMGPR119OGANPSR1MAPT
SCHEMBL20046086 0.80 GPR119 (0.48) P2RY12CRBNRETGPR119MAPT
SCHEMBL23538928 0.79 RET (0.49) CRBNRETGPR119EIF2AK4

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-119384420-A Novel PAR-2 inhibitors 多曼治疗学公司 2025-01-28 CN disclosed