SCHEMBL5186458

SCHEMBL5186458

COc1cc(CN(CCOC(N)=O)C(=O)c2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TRPM8 Q7Z2W7 2/20 0.55
KDM4E B2RXH2 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
BLM P54132 1/20 0.54
RAF1 P04049 4/20 0.54
MAP2K1 Q02750 4/20 0.54
APP P05067 1/20 0.52
ATM Q13315 1/20 0.50
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.48

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
SCHEMBL5184788 0.94 TRPM8 (0.58) MEN1KMT2ATRPM8KDM4ECYP1A2
SCHEMBL5187485 0.89 LPAR1 (0.48) MEN1KMT2ATRPM8KDM4ECYP1A2
SCHEMBL14078347 0.87 TRPM8 (0.69) MEN1KMT2ATRPM8KDM4ECYP1A2
SCHEMBL5110016 0.82 MTNR1A (0.58) MEN1KMT2ATRPM8KDM4ECYP1A2
Trifluoroacetic Acid SCHEMBL5106762 0.82 TRPM8 (0.62) MEN1KMT2ATRPM8KDM4ECYP1A2
SCHEMBL14078310 0.82 TRPM8 (0.62) MEN1KMT2ATRPM8KDM4ECYP1A2
SCHEMBL5107779 0.82 TRPM8 (0.62) MEN1KMT2ATRPM8KDM4ECYP1A2
SCHEMBL5122218 0.81 TRPM8 (0.61) MEN1KMT2ATRPM8KDM4ECYP1A2
SCHEMBL14078352 0.81 TRPM8 (0.64) MEN1KMT2ATRPM8KDM4ECYP1A2
Hydrochloric Acid SCHEMBL5114925 0.80 TRPM8 (0.62) MEN1KMT2ATRPM8KDM4ECYP1A2

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
EP-1802600-A1 SUBSTITUTED 4-BENZYLOXY-PHENYLMETHYLAMIDE DERIVATIVES AS COLD MENTHOL RECEPTOR-1 (CMR-1) ANTAGONITS FOR THE TREATMENT OF UROLOGICAL DISORDERS Bayer HealthCare AG (DE) 2007-07-04 EP disclosed
WO-2006040136-A1 SUBSTITUTED 4-BENZYLOXY-PHENYLMETHYLAMIDE DERIVATIVES AS COLD MENTHOL RECEPTOR-1 (CMR-1) ANTAGONISTS FOR THE TREATMENT OF UROLOGICAL DISORDER BAYER HEALTHCARE AG (DE) 2006-04-20 WO disclosed