SCHEMBL30472671

SCHEMBL30472671

COC(=O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(-c2nnn(C)c2CO)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.38
▸ FNTA P49354 1/20 0.38
▸ FNTB P49356 1/20 0.38
▸ GAA P10253 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ SLCO1B1 Q9Y6L6 1/20 0.37
▸ PTPN1 P18031 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SLC6A2 P23975 1/20 0.35

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
SCHEMBL30472667 1.00 CYP2C19 (0.42) CYP2C19RAB9ALMNAHTTSMN1; SMN2
SCHEMBL25422589 0.88 CNR1 (0.42) CYP2C19RAB9ALMNAHTTSMN1; SMN2
SCHEMBL30472607 0.85 CYP2C19 (0.44) CYP2C19RAB9ALMNAHTTSMN1; SMN2
SCHEMBL25439503 0.84 CYP2C19 (0.46) CYP2C19RAB9ALMNAHTTSMN1; SMN2
SCHEMBL30472622 0.84 CYP2C19 (0.42) CYP2C19RAB9ALMNAHTTSMN1; SMN2
SCHEMBL25953750 0.79 HTT (0.34) HTTKDM4EALOX5ALOX5APFEN1
SCHEMBL30321094 0.79 HTT (0.34) HTTKDM4EALOX5ALOX5APFEN1
SCHEMBL31452181 0.79 LPAR1 (0.39) CYP2C19RAB9ALMNAHTTSMN1; SMN2
SCHEMBL30472638 0.75 RAB9A (0.45) CYP2C19RAB9ALMNAHTTSMN1; SMN2
SCHEMBL25422182 0.72 RAB9A (0.43) CYP2C19RAB9ALMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4452965-A1 CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2024-10-30 — — EP disclosed
WO-2023118253-A1 CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-06-29 — — WO disclosed
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