SCHEMBL7477553

SCHEMBL7477553

COc1cccc(C(CCN2CCC(C(=O)c3nc4ccccc4n3Cc3ccoc3)CC2)CN(C)C(=O)c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 15/20 0.48
HRH1 P35367 6/20 0.48
TACR1 P25103 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
SCHEMBL7474535 0.93 HRH1 (0.47) TACR2HRH1TACR1
SCHEMBL7473174 0.92 TACR2 (0.47) TACR2HRH1TACR1
SCHEMBL7527008 0.91 HRH1 (0.49) TACR2HRH1TACR1
SCHEMBL7472689 0.91 TACR2 (0.49) TACR2
SCHEMBL7463808 0.89 HRH1 (0.51) TACR2HRH1TACR1
SCHEMBL7469129 0.89 HRH1 (0.51) HRH1TACR1
SCHEMBL7475271 0.89 TACR2 (0.60) TACR2
SCHEMBL7468429 0.89 TACR2 (0.48) TACR2HRH1TACR1
SCHEMBL7500327 0.88 KCNH2 (0.46) TACR2HRH1TACR1
SCHEMBL7472259 0.88 TACR2 (0.49) 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