SCHEMBL31612866

SCHEMBL31612866

COC(=O)c1ccc(C2=CCN(C(=O)OC(C)(C)C)CC2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.53
GRM1 Q13255 9/20 0.48
GRM5 P41594 8/20 0.48
TLR7 Q9NYK1 1/20 0.48
PDK4 Q16654 1/20 0.47
CDK7 P50613 1/20 0.46
CDK13 Q14004 1/20 0.46
CDK12 Q9NYV4 1/20 0.46
SOS1 Q07889 1/20 0.45
BRD4 O60885 1/20 0.44
CDK9 P50750 2/20 0.44
CCNT1 O60563 1/20 0.43
QDPR P09417 1/20 0.43
LIPC P11150 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
JAK1 P23458 1/20 0.43

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
SCHEMBL15380388 1.00 NAMPT (0.53) NAMPTGRM1GRM5TLR7PDK4
SCHEMBL3154887 0.92 NAMPT (0.53) NAMPTGRM1GRM5TLR7PDK4
SCHEMBL30798377 0.90 NAMPT (0.56) NAMPTGRM1GRM5PDK4CDK7
SCHEMBL24718282 0.90 NAMPT (0.56) NAMPTGRM1GRM5PDK4CDK7
SCHEMBL16339266 0.89 NAMPT (0.53) NAMPTGRM1GRM5TLR7PDK4
SCHEMBL29271655 0.88 NAMPT (0.52) NAMPTGRM1GRM5TLR7PDK4
SCHEMBL3033965 0.88 NAMPT (0.54) NAMPTGRM1GRM5TLR7PDK4
SCHEMBL30736648 0.88 NAMPT (0.54) NAMPTGRM1GRM5PDK4CDK7
SCHEMBL30736760 0.88 NAMPT (0.52) NAMPTGRM1GRM5TLR7PDK4
SCHEMBL19940290 0.87 NAMPT (0.53) NAMPTGRM1GRM5PDK4CDK7

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-120118067-A Estrogen receptor modulators and uses thereof 江苏威凯尔医药科技股份有限公司 2025-06-10 CN disclosed