SCHEMBL31491303

SCHEMBL31491303

CN(CCN1CCN(c2ncc(Cl)cn2)CC1)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.39
▸ GPR119 Q8TDV5 7/20 0.39
▸ DRD4 P21917 2/20 0.39
▸ GRM2 Q14416 3/20 0.39
▸ MAPT P10636 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
SCHEMBL2587527 0.81 HRH3 (0.36) HRH3DRD4
SCHEMBL2330967 0.79 POLB (0.43) DRD4
SCHEMBL25272575 0.76 PPARG (0.45) HRH3DRD4
SCHEMBL31570895 0.76 PPARG (0.45) HRH3DRD4
SCHEMBL21816694 0.76 PAOX (0.37) HRH3
SCHEMBL22644624 0.75 HRH3 (0.46) HRH3DRD4MAPT
SCHEMBL31491358 0.75 GPR119 (0.44) GPR119MAPT
SCHEMBL22644656 0.75 GPR119 (0.47) HRH3GPR119DRD4
SCHEMBL22644616 0.75 CXCR3 (0.43) DRD4MAPT
SCHEMBL9539389 0.74 SIGMAR1 (0.46) HRH3

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-2025067168-A1 AZA FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 苏州爱科百发生物医药技术有限公司 2025-04-03 — — WO disclosed
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