SCHEMBL9557006

SCHEMBL9557006

CN(C)c1ccc(CCCC(=O)N2CC=CCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HRH3 Q9Y5N1 2/20 0.41
▸ AR P10275 1/20 0.40
▸ CACNA1G O43497 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.37
▸ PANK3 Q9H999 1/20 0.37

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
SCHEMBL9557047 0.91 ALDH1A1 (0.47) NPC1RAB9AALDH1A1MAPTALOX15
SCHEMBL9556940 0.85 NAAA (0.48) ALDH1A1AR
SCHEMBL9557059 0.83 RAB9A (0.51) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL9556995 0.83 SIGMAR1 (0.40) NPC1RAB9AARTRPV1
SCHEMBL9556903 0.83 MAOA (0.51) NPC1ALDH1A1
SCHEMBL9557168 0.82 NPC1 (0.54) NPC1RAB9AALDH1A1MAPTNFKB1
SCHEMBL9557252 0.82 MAOA (0.54) ALDH1A1MAPTSMN1; SMN2
SCHEMBL9557044 0.79 NAAA (0.54) TRPV1
SCHEMBL9557038 0.79 TRPV1 (0.43) TRPV1
SCHEMBL9557179 0.79 MAOA (0.52) NPC1RAB9AMAPTAR

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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