SCHEMBL7473405

SCHEMBL7473405

CC(C)(C)OC(=O)N1CCC(C(=O)c2nc3ccccc3n2CCOCC(F)(F)F)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 8/20 0.44
TACR2 P21452 1/20 0.44
TACR1 P25103 1/20 0.44
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 0.43
STS P08842 3/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OGFRL1 Q5TC84 1/20 0.42
CCR5 P51681 1/20 0.40
MAPT P10636 1/20 0.39
GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL9260913 0.90 HRH1 (0.51) HRH1NOD2NOD1STS
SCHEMBL7477117 0.87 NOD2 (0.42) HRH1TACR2TACR1NOD2NOD1
SCHEMBL13317058 0.84 KDM4E (0.54) HRH1TACR2TACR1NOD2NOD1
SCHEMBL7473715 0.84 HRH1 (0.55) HRH1TACR2TACR1NOD2NOD1
SCHEMBL7471446 0.82 HRH1 (0.42) HRH1TACR2TACR1MAPT
SCHEMBL7899281 0.82 HRH1 (0.54) HRH1TACR2TACR1NOD2NOD1
SCHEMBL7479016 0.81 NOD2 (0.45) HRH1TACR2TACR1NOD2NOD1
SCHEMBL9266382 0.81 NOD2 (0.43) HRH1TACR2TACR1NOD2NOD1
SCHEMBL7958395 0.80 HRH1 (0.64) HRH1TACR2TACR1STS
SCHEMBL9258336 0.80 NOD2 (0.42) HRH1TACR2TACR1NOD2NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882038-B1 SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2002-12-18 EP disclosed
US-6297259-B1 HISTAMINE RECEPTOR ANTAGONISTS AND TACHYKININ RECEPTOR ANTAGONISTS. AVENTIS PHARMACEUTICALS INC. 2001-10-02 US disclosed
US-5998439-A RESPIRATORY SYSTEM DISORDERS Hoescht Marion Roussel, Inc. (US) 1999-12-07 US disclosed
EP-0882038-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1998-12-09 EP disclosed
WO-1997030990-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-08-28 WO disclosed