SCHEMBL30681687

SCHEMBL30681687

COc1cc2c(cc1-c1cncc(C(N)=O)c1)-c1c(c(C(=O)N(C)C(C)(C)C)nn1-c1cc(F)cc(Cl)c1)CO2

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 3/20 0.34
▸ GPBAR1 Q8TDU6 2/20 0.33
▸ CCNA2 P20248 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ CCNA1 P78396 1/20 0.30

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
SCHEMBL20731110 1.00 NR1H4 (0.34) NR1H4GPBAR1CCNA2CDK2CCNA1
SCHEMBL17381651 0.96 CCNA2 (0.32) NR1H4CCNA2CDK2CCNA1
SCHEMBL19321678 0.95 NR1H4 (0.35) NR1H4CCNA2CDK2CCNA1
SCHEMBL17381606 0.94 NR1H4 (0.32) NR1H4GPBAR1
SCHEMBL17382066 0.93 CCNA2 (0.35) NR1H4CCNA2CDK2CCNA1
SCHEMBL17382120 0.93 ALPL (0.31) CCNA2CDK2CCNA1
SCHEMBL17382238 0.92 NR1H4 (0.34) NR1H4
SCHEMBL17381637 0.92 NR1H4 (0.35) NR1H4GPBAR1CCNA2CDK2CCNA1
SCHEMBL17382067 0.92 NR1H4 (0.33) NR1H4GPBAR1
SCHEMBL17381970 0.91 CCNA2 (0.32) NR1H4CCNA2CDK2CCNA1

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
EP-3157929-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF ARES TRADING SA (CH) 2023-12-13 — — EP disclosed
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