SCHEMBL27406358

SCHEMBL27406358

CCCC(=O)OC1(c2ccccn2)CNC(=O)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SLC6A2 P23975 2/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ OPRM1 P35372 4/20 0.32
▸ OPRL1 P41146 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ ADAMTS4 O75173 1/20 0.32
▸ DDB1 Q16531 1/20 0.32
▸ CRBN Q96SW2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ GABRA1 P14867 1/20 0.31

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
SCHEMBL27405699 0.83 OPRM1 (0.43) MEN1KMT2ASLC6A2SLC6A4OPRM1
SCHEMBL27469099 0.79 CYP19A1 (0.38) OPRM1OPRD1OPRK1
SCHEMBL27403252 0.78 SLC6A2 (0.38) SLC6A2SLC6A4OPRM1OPRL1KDM4E
SCHEMBL27400181 0.76 DRD2 (0.40) —
SCHEMBL27444255 0.76 DRD2 (0.40) OPRM1OPRL1
SCHEMBL28780773 0.75 IDH1 (0.34) MEN1KMT2AKDM4EALDH1A1
SCHEMBL27401367 0.74 OPRM1 (0.37) SLC6A2SLC6A4OPRM1OPRL1ALDH1A1
SCHEMBL6988115 0.71 LMNA (0.42) MEN1KMT2AKDM4ECASP1HSD17B10
SCHEMBL25460806 0.69 HSD11B1 (0.36) MEN1KMT2ASLC6A2SLC6A4RAB9A
SCHEMBL27366256 0.68 SLC6A2 (0.35) MEN1KMT2ASLC6A2SLC6A4OPRM1

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
CN-1098264-C Substituted 4- (1H-benzimidazol-2-yl-amino) piperidines for the treatment of allergic diseases AVENTIS PHARMA INC (US) 2003-01-08 — — CN disclosed
CN-1080262-C Novel substituted 4-(1H-benzimidazol-2-YL) [1,4] diazepanes useful for the treatment of allergic diseases HOECHST MARION ROUSSEL INC (US) 2002-03-06 — — CN disclosed
CN-1207097-A Novel substituted 4- (1H-benzimidazol-2-yl) [1,4] diazepanes useful for the treatment of allergic diseases HOECHST MARION ROUSSEL INC (US) 1999-02-03 — — CN disclosed
CN-1202894-A Substituted 4-(1H-benzimidzol-2-yl-amino) piepridines useful for the treatment of allergic diseases HOECHST MARION ROUSSEL INC (US) 1998-12-23 — — CN disclosed
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