SCHEMBL7475574

SCHEMBL7475574

COc1ccc(C(CCN2CCC(C(=O)c3nc4ccccc4n3CCN3CCOCC3)CC2)CN(C)C(=O)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 18/20 0.49
HRH1 P35367 2/20 0.49
TACR1 P25103 1/20 0.49
LMNA P02545 1/20 0.43

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
SCHEMBL7475362 0.90 HRH1 (0.51) TACR2HRH1TACR1
SCHEMBL7479617 0.89 TACR2 (0.52) TACR2HRH1TACR1
SCHEMBL7476004 0.88 TACR2 (0.48) TACR2HRH1TACR1
SCHEMBL7470684 0.87 HRH1 (0.54) TACR2HRH1TACR1
SCHEMBL7472511 0.86 TACR2 (0.58) TACR2HRH1TACR1
SCHEMBL7462003 0.86 HRH1 (0.54) TACR2HRH1TACR1
SCHEMBL7479117 0.85 TACR2 (0.51) TACR2
SCHEMBL7471722 0.84 HRH1 (0.62) TACR2HRH1
SCHEMBL7464941 0.84 TACR2 (0.51) TACR2HRH1
SCHEMBL7473951 0.84 HRH1 (0.58) TACR2HRH1TACR1

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