SCHEMBL7527008

SCHEMBL7527008

COc1ccc(C(CCN2CCC(C(=O)c3nc4ccccc4n3Cc3ccoc3)CC2)CN(C)C(=O)c2ccccc2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 10/20 0.49
TACR2 P21452 11/20 0.47
TACR1 P25103 2/20 0.45

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
SCHEMBL7477652 0.94 HRH1 (0.51) HRH1TACR1
SCHEMBL7477553 0.91 TACR2 (0.48) HRH1TACR2TACR1
SCHEMBL7473174 0.91 TACR2 (0.47) HRH1TACR2TACR1
SCHEMBL7469129 0.90 HRH1 (0.51) HRH1TACR1
SCHEMBL7475271 0.90 TACR2 (0.60) TACR2
SCHEMBL7471710 0.90 HRH1 (0.61) HRH1TACR2TACR1
SCHEMBL7468429 0.90 TACR2 (0.48) HRH1TACR2TACR1
SCHEMBL7474548 0.89 HRH1 (0.54) HRH1TACR2TACR1
SCHEMBL7472259 0.89 TACR2 (0.49) HRH1TACR2TACR1
SCHEMBL7471679 0.89 TACR2 (0.51) HRH1TACR2TACR1

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 3 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