SCHEMBL31030985

SCHEMBL31030985

COc1cnccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 8/20 0.42
CCNT1 O60563 7/20 0.42
GPR119 Q8TDV5 5/20 0.40
WDR5 P61964 2/20 0.37
TBK1 Q9UHD2 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 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
SCHEMBL24212061 1.00 CDK9 (0.42) CDK9CCNT1GPR119WDR5TBK1
SCHEMBL30325596 0.87 CDK9 (0.45) CDK9CCNT1
SCHEMBL2072369 0.81 GPR119 (0.43) GPR119WDR5CHRM2CHRM1CHRM3
SCHEMBL12094592 0.80 GPR119 (0.46) GPR119CHRM2CHRM1CHRM3
SCHEMBL6491111 0.80 GPR119 (0.46) GPR119CHRM2CHRM1CHRM3
SCHEMBL29886061 0.79 SUV39H2 (0.43) CDK9CCNT1WDR5CHRM2CHRM1
SCHEMBL23214881 0.79 SUV39H2 (0.43) CDK9CCNT1WDR5CHRM2CHRM1
SCHEMBL15244232 0.78 KMT2A (0.42) WDR5
SCHEMBL22635785 0.76 AAK1 (0.39) CDK9CCNT1GPR119WDR5CHRM2
SCHEMBL18043583 0.76 SLC6A2 (0.41) GPR119WDR5CHRM2CHRM1CHRM3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119258067-A Substituted piperidine compounds and uses thereof 卫材R&D管理有限公司 2025-01-07 CN disclosed
CN-119235864-A Substituted piperidine compounds and uses thereof 卫材R&D管理有限公司 2025-01-03 CN disclosed
CN-115884971-B Substituted piperidine compounds and uses thereof 卫材R&D管理有限公司 2024-11-05 CN disclosed
CN-118451076-A Crystal of substituted piperidine compound, salt of substituted piperidine compound, and crystal thereof 卫材R&D管理有限公司 2024-08-06 CN disclosed