SCHEMBL5206501

SCHEMBL5206501

CC(=O)ON1CCC(Cc2ccc(F)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
CCR3 P51677 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
SCHEMBL5206103 0.87 OPRM1 (0.49) OPRM1
SCHEMBL5373262 0.85 ALDH1A1 (0.56) MEN1KMT2ACCR3
SCHEMBL5202187 0.85 SLC2A1 (0.53) CCR3
SCHEMBL5205363 0.84 F2 (0.44) MEN1KMT2APOLB
SCHEMBL27816805 0.83 MEN1 (0.47) OPRM1MEN1KMT2APOLB
SCHEMBL14559864 0.82 MEN1 (0.56) OPRM1MEN1KMT2APOLBCCR3
SCHEMBL9768376 0.81 RAB9A (0.54) MEN1KMT2APOLBCCR3
SCHEMBL3813779 0.79 HRH3 (0.49) MEN1KMT2A
SCHEMBL14559866 0.78 MEN1 (0.53) OPRM1MEN1KMT2APOLBCCR3
SCHEMBL8485315 0.78 ALDH1A1 (0.51) MEN1KMT2A

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-1565453-A4 2- (4-BENZYL)-1-PIPERIDINYL)METHYL|BENZIMIDAZOLE-5-OL DERIVATIVES AS NR2B RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2007-10-10 EP disclosed
EP-1565453-A1 2- (4-BENZYL)-1-PIPERIDINYL)METHYL]BENZIMIDAZOLE-5-OL DERIVATIVES AS NR2B RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2005-08-24 EP disclosed
WO-2004048364-A1 2-[(4-BENZYL)-1-PIPERIDINYL)METHYL]BENZIMIDAZOLE-5-OL DERIVATIVES AS NR2B RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2004-06-10 WO disclosed