SCHEMBL7477979

SCHEMBL7477979

COc1cccc(C(CCN2CCC(C(=O)c3nc4ccccc4n3Cc3ccccn3)CC2)CN(C)C(=O)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.51
TACR2 P21452 12/20 0.48
TACR1 P25103 1/20 0.46
DRD2 P14416 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
SCHEMBL7471574 0.93 HRH1 (0.59) HRH1TACR2TACR1
SCHEMBL7470684 0.93 HRH1 (0.54) HRH1TACR2TACR1
SCHEMBL7469576 0.92 TACR2 (0.50) HRH1TACR2
SCHEMBL7468286 0.91 HRH1 (0.54) HRH1TACR2
SCHEMBL7472636 0.91 TACR2 (0.52) HRH1TACR2
SCHEMBL7469154 0.89 HRH1 (0.62) HRH1TACR1
SCHEMBL7472864 0.88 TACR2 (0.51) HRH1TACR2
SCHEMBL7471652 0.88 TACR2 (0.63) TACR2
SCHEMBL7463808 0.88 HRH1 (0.51) HRH1TACR2TACR1
SCHEMBL7495780 0.88 TACR2 (0.47) HRH1TACR2TACR1DRD2

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