SCHEMBL30968406

SCHEMBL30968406

CC(C)(C)OC(=O)N1c2ncccc2C2(CC2)CC1Br

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.39
POLB P06746 1/20 0.38
GPR119 Q8TDV5 7/20 0.37
KCNH2 Q12809 5/20 0.36
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
RIPK1 Q13546 1/20 0.35
NAMPT P43490 1/20 0.34
GRM5 P41594 1/20 0.34
GRM1 Q13255 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
SCHEMBL7569116 0.76 KDM1A (0.47) KDM1APOLBGPR119KCNH2CHRM4
SCHEMBL28611990 0.71 KCNH2 (0.46) KDM1APOLBGPR119KCNH2CHRM4
SCHEMBL19224642 0.71 RIPK1 (0.55) KDM1AKCNH2RIPK1
SCHEMBL30374712 0.71 RIPK1 (0.55) KDM1AKCNH2RIPK1
SCHEMBL4598286 0.71 POLB (0.43) POLBGPR119GRM5GRM1
SCHEMBL14097932 0.71 POLB (0.43) POLBGPR119GRM5GRM1
SCHEMBL6002678 0.70 KCNH2 (0.43) KDM1APOLBGPR119KCNH2CHRM4
SCHEMBL17094798 0.70 POLB (0.42) POLBGPR119GRM5GRM1
SCHEMBL8877460 0.69 POLB (0.43) POLBGPR119NAMPTGRM5GRM1
SCHEMBL18181191 0.69 POLB (0.43) POLBGPR119GRM5GRM1

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-112867712-B Carboxamide as ubiquitin-specific protease inhibitor 瓦洛早期发现股份有限公司 2024-07-16 CN disclosed