SCHEMBL11234974

SCHEMBL11234974

Cc1cccc(C)c1N(CCC(=O)N(CCC(=O)O)C(c1ccccc1)c1ccccc1)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.37
▸ OPRD1 P41143 2/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ GCGR P47871 1/20 0.37
▸ F2 P00734 3/20 0.37
▸ HTT P42858 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ PLA2G1B P04054 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ATG4B Q9Y4P1 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GPR139 Q6DWJ6 1/20 0.34
▸ UTS2R Q9UKP6 3/20 0.34

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
SCHEMBL11220562 0.86 HTT (0.44) NPSR1F2HTTMEN1PLA2G1B
SCHEMBL11311686 0.79 PTGIR (0.41) NPSR1F2HTTKDM4ENPC1
SCHEMBL11321942 0.77 PTGIR (0.39) NPSR1F2HTTKDM4ENPC1
SCHEMBL11116763 0.77 HDAC6 (0.43) NPSR1F2HTTKDM4ENPC1
SCHEMBL11325054 0.74 NPSR1 (0.39) NPSR1OPRD1OPRM1HTTMEN1
SCHEMBL11224743 0.74 POLB (0.40) NPSR1OPRD1OPRM1GCGRHTT
SCHEMBL11310145 0.73 NPSR1 (0.45) NPSR1HTTMEN1PLA2G1BKMT2A
SCHEMBL11314723 0.73 SMN1; SMN2 (0.43) NPSR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL11320266 0.73 POLB (0.45) NPSR1OPRD1OPRM1GCGRHTT
SCHEMBL11315540 0.73 PTGIR (0.45) NPC1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0003056-B1 N-SUBSTITUTED OMEGA-AMINOALKANOYL-OMEGA-AMINOALKANECARBOXYLIC ACIDS, THEIR APPLICATION AND PROCESS FOR THEIR PREPARATION, AND MEDICINES CONTAINING THESE COMPOUNDS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-08-18 — — EP disclosed
US-4250183-A GASTOINTESTINAL DISORDERS; DISEASES OF THE PANCREAS, GALL BLADDER, AND LIVER BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1981-02-10 — — US disclosed
EP-0003056-A1 N-substituted omega-aminoalkanoyl-omega-aminoalkanecarboxylic acids, their application and process for their preparation, and medicines containing these compounds Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1979-07-25 — — EP disclosed
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