SCHEMBL30630747

SCHEMBL30630747

COC(=O)C1CC(C)N(C(=O)c2cc(-c3cc(OC)ncc3Cl)[nH]n2)C(C)C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 9/20 0.35
▸ CCNE1 P24864 3/20 0.33
▸ CDK2 P24941 3/20 0.33
▸ SMO Q99835 1/20 0.31
▸ FFAR2 O15552 1/20 0.31
▸ GRM4 Q14833 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL24424032 1.00 CHRM4 (0.35) CHRM4CCNE1CDK2SMOFFAR2
SCHEMBL24423040 0.91 FFAR2 (0.35) CHRM4CCNE1CDK2SMOFFAR2
SCHEMBL29585588 0.90 CHRM4 (0.34) CHRM4SMOFFAR2GRM4NPC1
SCHEMBL30630805 0.90 CHRM4 (0.34) CHRM4SMOFFAR2GRM4NPC1
SCHEMBL24423446 0.90 CHRM4 (0.34) CHRM4SMOFFAR2GRM4NPC1
SCHEMBL24424150 0.82 POLB (0.44) —
SCHEMBL29583332 0.82 POLB (0.44) —
SCHEMBL24422937 0.82 TDP1 (0.32) CHRM4
SCHEMBL24423713 0.81 CYP4F2 (0.36) CHRM4SMOFFAR2
SCHEMBL29584640 0.81 CYP4F2 (0.36) CHRM4SMOFFAR2

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-116635380-A PPARgamma modulators and methods of use 卫材R&D管理有限公司 2023-08-22 — — CN disclosed
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