SCHEMBL9557185

SCHEMBL9557185

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

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.53
▸ MAOB P27338 1/20 0.53
▸ FKBP1A P62942 1/20 0.53
▸ KMT2A Q03164 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TSHR P16473 1/20 0.47
▸ DRD2 P14416 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.46
▸ ALOX5 P09917 1/20 0.46

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
SCHEMBL9557091 0.99 MAOA (0.52) MAOAMAOBFKBP1AKMT2AALDH1A1
SCHEMBL9557252 0.96 MAOA (0.54) MAOAMAOBFKBP1AKMT2AALDH1A1
SCHEMBL9557154 0.91 FKBP1A (0.64) MAOAMAOBFKBP1AKMT2AALDH1A1
SCHEMBL9557029 0.91 FKBP1A (0.56) FKBP1AKMT2AALDH1A1MEN1KDM4E
SCHEMBL9557038 0.83 TRPV1 (0.43) MAOBSIGMAR1
SCHEMBL9557044 0.83 NAAA (0.54) MAOA
SCHEMBL9557179 0.83 MAOA (0.52) MAOASIGMAR1
SCHEMBL9557015 0.82 NAAA (0.53) MAOA
SCHEMBL9557186 0.82 NAAA (0.55) —
SCHEMBL9556940 0.82 NAAA (0.48) KMT2AALDH1A1MEN1

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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