SCHEMBL25422182

SCHEMBL25422182

C[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(-c2nnn(C)c2N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CNR1 P21554 3/20 0.41
▸ CNR2 P34972 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ PTPN1 P18031 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ ALOX5AP P20292 2/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ KIT P10721 1/20 0.36

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
SCHEMBL30472607 0.87 CYP2C19 (0.44) RAB9ALMNASMN1; SMN2MAPTKMT2A
SCHEMBL25422589 0.85 CNR1 (0.42) RAB9ALMNASMN1; SMN2MAPTKMT2A
SCHEMBL25439503 0.73 CYP2C19 (0.46) RAB9ALMNASMN1; SMN2MAPTKMT2A
SCHEMBL30472671 0.72 CYP2C19 (0.42) RAB9ALMNASMN1; SMN2MAPTKMT2A
SCHEMBL30472622 0.72 CYP2C19 (0.42) RAB9ALMNASMN1; SMN2MAPTHTT
SCHEMBL30472667 0.72 CYP2C19 (0.42) RAB9ALMNASMN1; SMN2MAPTKMT2A
SCHEMBL889076 0.71 HTT (0.54) RAB9ALMNASMN1; SMN2MAPTKMT2A
SCHEMBL889034 0.69 SMN1; SMN2 (0.50) RAB9ASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL14182719 0.67 MAOA (0.52) RAB9ALMNASMN1; SMN2MAPTKMT2A
SCHEMBL14183010 0.67 ITK (0.45) RAB9ALMNASMN1; SMN2MAPTKMT2A

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
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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