SCHEMBL7479617

SCHEMBL7479617

COc1ccc(C(CCN2CCC(C(=O)c3nc4ccccc4n3C)CC2)CN(C)C(=O)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 20/20 0.52
TACR1 P25103 1/20 0.48
HRH1 P35367 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
SCHEMBL7463515 0.93 TACR2 (0.54) TACR2
SCHEMBL7475574 0.89 TACR2 (0.49) TACR2TACR1HRH1
SCHEMBL7475362 0.89 HRH1 (0.51) TACR2TACR1HRH1
SCHEMBL7476004 0.88 TACR2 (0.48) TACR2TACR1HRH1
SCHEMBL7470684 0.87 HRH1 (0.54) TACR2TACR1HRH1
SCHEMBL7472511 0.87 TACR2 (0.58) TACR2TACR1HRH1
SCHEMBL7498698 0.86 KCNH2 (0.52) TACR2
SCHEMBL7462003 0.84 HRH1 (0.54) TACR2TACR1HRH1
SCHEMBL7466765 0.84 TACR2 (0.60) TACR2HRH1
SCHEMBL7468321 0.83 TACR2 (0.51) TACR2

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