SCHEMBL7463581

SCHEMBL7463581

COc1ccc(C(CCN2CCC(C(=O)c3nc4ccccc4n3Cc3ccc(C)o3)CC2)CN(C)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 20/20 0.50
TACR1 P25103 2/20 0.47
TACR2 P21452 1/20 0.47

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
SCHEMBL7465947 0.95 HRH1 (0.53) HRH1TACR1TACR2
SCHEMBL7471439 0.91 HRH1 (0.49) HRH1TACR1
SCHEMBL7463620 0.91 HRH1 (0.59) HRH1TACR1TACR2
SCHEMBL7474396 0.90 HRH1 (0.51) HRH1TACR1
SCHEMBL7495732 0.89 KCNH2 (0.46) HRH1TACR1TACR2
SCHEMBL7469534 0.88 HRH1 (0.50) HRH1TACR1TACR2
SCHEMBL7479790 0.88 HRH1 (0.63) HRH1TACR1TACR2
SCHEMBL7473951 0.87 HRH1 (0.58) HRH1TACR1TACR2
SCHEMBL7478440 0.86 HRH1 (0.62) HRH1TACR1
SCHEMBL7472958 0.86 TACR2 (0.50) HRH1TACR2

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