SCHEMBL7954362

SCHEMBL7954362

CCC(Cn1c(C(=O)C2CCN(CCC(CN(C)C(=O)c3cc(OC)c(OC)c(OC)c3)c3ccc(Cl)c(Cl)c3)CC2)nc2ccccc21)OO

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 15/20 0.53
HRH1 P35367 5/20 0.51

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
SCHEMBL7468995 0.93 HRH1 (0.49) HRH1
SCHEMBL7464691 0.91 TACR2 (0.55) TACR2HRH1
SCHEMBL7464461 0.90 HRH1 (0.63) TACR2HRH1
SCHEMBL7471722 0.90 HRH1 (0.62) TACR2HRH1
SCHEMBL7473923 0.88 HRH1 (0.58) TACR2HRH1
SCHEMBL7477013 0.87 HRH1 (0.63) TACR2HRH1
SCHEMBL7472802 0.87 HRH1 (0.59) TACR2HRH1
SCHEMBL7470053 0.86 HRH1 (0.52) TACR2HRH1
SCHEMBL7472958 0.86 TACR2 (0.50) TACR2HRH1
SCHEMBL7470451 0.86 HRH1 (0.56) TACR2HRH1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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