SCHEMBL7469322

SCHEMBL7469322

CN(CC(CCN1CCC(C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 17/20 0.53
HRH1 P35367 4/20 0.51
TACR1 P25103 1/20 0.51

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
SCHEMBL7469434 0.92 TACR2 (0.62) TACR2
Hydrochloric Acid SCHEMBL7471819 0.92 TACR2 (0.61) TACR2
SCHEMBL7499702 0.88 TACR2 (0.52) TACR2HRH1TACR1
SCHEMBL7464847 0.86 TACR2 (0.62) TACR2
SCHEMBL7475945 0.85 TACR2 (0.57) TACR2HRH1TACR1
SCHEMBL7478472 0.84 TACR2 (0.60) TACR2
SCHEMBL7471988 0.84 TACR2 (0.57) TACR2HRH1TACR1
SCHEMBL7471710 0.83 HRH1 (0.61) TACR2HRH1TACR1
SCHEMBL7475271 0.83 TACR2 (0.60) TACR2
SCHEMBL7473923 0.83 HRH1 (0.58) TACR2HRH1

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