SCHEMBL9557252

SCHEMBL9557252

COc1ccc(CCCC(=O)N2CC=CCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.54
▸ MAOB P27338 1/20 0.54
▸ FKBP1A P62942 1/20 0.54
▸ KMT2A Q03164 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ ALOX5 P09917 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ TSHR P16473 1/20 0.48
▸ DRD2 P14416 1/20 0.48
▸ SIGMAR1 Q99720 1/20 0.47
▸ CASP3 P42574 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ PLAAT3 P53816 1/20 0.45
▸ PLAAT5 Q96KN8 1/20 0.45
▸ PLAAT2 Q9NWW9 1/20 0.45
▸ PLAAT4 Q9UL19 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45

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
SCHEMBL9557185 0.96 MAOA (0.53) MAOAMAOBFKBP1AKMT2AALDH1A1
SCHEMBL9557091 0.95 MAOA (0.52) MAOAMAOBFKBP1AKMT2AALDH1A1
SCHEMBL9557154 0.92 FKBP1A (0.64) MAOAMAOBFKBP1AKMT2AALDH1A1
SCHEMBL9557029 0.87 FKBP1A (0.56) FKBP1AKMT2AALDH1A1MEN1ALOX5
SCHEMBL9556940 0.85 NAAA (0.48) KMT2AALDH1A1MEN1CASP3CASP7
SCHEMBL9556995 0.83 SIGMAR1 (0.40) MAOASIGMAR1
SCHEMBL9557059 0.83 RAB9A (0.51) KMT2AALDH1A1MEN1SMN1; SMN2HPGD
SCHEMBL9556903 0.83 MAOA (0.51) MAOAALDH1A1ME2ME1ME3
SCHEMBL31329280 0.82 FKBP1A (0.64) FKBP1AKMT2AALDH1A1MEN1ALOX5
SCHEMBL31329327 0.82 FKBP1A (0.64) FKBP1AKMT2AALDH1A1MEN1ALOX5

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
US-5198450-A PHENYLALKANOYLAMINE DERIVATIVES, PROCESS FOR PREPARING THE SAME, AND USAGE OF THE SAME ZERIA PHARMACEUTICAL CO., LTD. (JP) 1993-03-30 — — US disclosed
EP-0424528-A1 PHENYLALKANOYLAMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USES ZERIA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 — — EP disclosed
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