SCHEMBL30630805

SCHEMBL30630805

COC(=O)C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2cc(OC)ncc2Cl)[nH]n1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 7/20 0.34
▸ SMO Q99835 1/20 0.33
▸ FFAR2 O15552 2/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ GRM4 Q14833 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ AKR1C3 P42330 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 1/20 0.30
▸ TYK2 P29597 1/20 0.30
▸ KDM1A O60341 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
SCHEMBL24423446 1.00 CHRM4 (0.34) CHRM4SMOFFAR2LRRK2LMNA
SCHEMBL29585588 1.00 CHRM4 (0.34) CHRM4SMOFFAR2LRRK2LMNA
SCHEMBL29584640 0.92 CYP4F2 (0.36) CHRM4SMOFFAR2LRRK2AKR1C3
SCHEMBL24423713 0.92 CYP4F2 (0.36) CHRM4SMOFFAR2LRRK2AKR1C3
SCHEMBL24424032 0.90 CHRM4 (0.35) CHRM4SMOFFAR2NPC1RAB9A
SCHEMBL30630747 0.90 CHRM4 (0.35) CHRM4SMOFFAR2NPC1RAB9A
SCHEMBL24423448 0.88 MGLL (0.33) CHRM4SMOFFAR2LRRK2NPC1
SCHEMBL29585305 0.88 MGLL (0.33) CHRM4SMOFFAR2LRRK2NPC1
SCHEMBL24423714 0.88 MGLL (0.33) CHRM4SMOFFAR2LRRK2NPC1
SCHEMBL29585591 0.87 STS (0.39) FFAR2

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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