SCHEMBL7353043

SCHEMBL7353043

NCC(=O)N1CCC[C@]1(C(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPIA P62937 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL9145455 0.85 PPIA (0.40) PPIA
SCHEMBL7384673 0.84 PPIA (0.41) PPIAALDH1A1
SCHEMBL17509965 0.80
SCHEMBL7431753 0.78 KDM4E (0.42) ALDH1A1
SCHEMBL11445398 0.76 TRPV1 (0.37) PPIAL3MBTL1ALDH1A1
SCHEMBL9284204 0.72 HTT (0.42) L3MBTL1ALDH1A1
SCHEMBL17509967 0.70
SCHEMBL87044 0.70 POLB (0.61) PPIANPC1RAB9AALDH1A1
SCHEMBL29603146 0.68
SCHEMBL9692377 0.68 DPP8 (0.49) RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0536399-B1 NOVEL ARYLALKANOYLAMINE DERIVATIVE AND DRUG CONTAINING THE SAME ZERIA PHARM CO LTD (JP) 1996-01-24 EP disclosed
US-5407950-A Brain disorders, senile dementia ZERIA PHARMACEUTICAL CO., LTD. (JP) 1995-04-18 US disclosed
EP-0536399-A1 NOVEL ARYLALKANOYLAMINE DERIVATIVE AND DRUG CONTAINING THE SAME ZERIA PHARMACEUTICAL CO., LTD. (JP) 1993-04-14 EP disclosed
US-4880824-A CARDIOVASCULAR DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1989-11-14 US disclosed