SCHEMBL7473486

SCHEMBL7473486

CN(CC(CCN1CCC(C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)CC1)c1ccc2c(c1)OCO2)C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 8/20 0.54
TACR2 P21452 13/20 0.52
TACR1 P25103 1/20 0.52

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
SCHEMBL8590935 0.92 TACR2 (0.48) HRH1TACR2
SCHEMBL7475945 0.90 TACR2 (0.57) HRH1TACR2TACR1
SCHEMBL7469434 0.90 TACR2 (0.62) TACR2
Hydrochloric Acid SCHEMBL7471819 0.89 TACR2 (0.61) TACR2
SCHEMBL7471988 0.89 TACR2 (0.57) HRH1TACR2TACR1
SCHEMBL7498795 0.88 SSTR5 (0.53) HRH1TACR2TACR1
SCHEMBL7471710 0.88 HRH1 (0.61) HRH1TACR2TACR1
SCHEMBL7473719 0.86 HRH1 (0.58) HRH1TACR2TACR1
SCHEMBL7471679 0.86 TACR2 (0.51) HRH1TACR2TACR1
SCHEMBL8590939 0.86 TACR2 (0.49) TACR2

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