SCHEMBL7467628

SCHEMBL7467628

COc1ccc(-n2cnnn2)cc1C(=O)N1CCC(CCN2CCC(NC=O)(c3ccccc3)CC2)(c2ccc(F)c(F)c2)C1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 11/20 0.48
TACR1 P25103 10/20 0.48
TACR3 P29371 1/20 0.44
HRH1 P35367 1/20 0.44

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
SCHEMBL7464193 0.94 TACR2 (0.42) TACR2TACR1TACR3HRH1
SCHEMBL7462633 0.94 TACR2 (0.51) TACR2TACR1TACR3HRH1
SCHEMBL7464602 0.94 TACR1 (0.49) TACR2TACR1TACR3HRH1
SCHEMBL7461879 0.94 TACR2 (0.49) TACR2TACR1TACR3HRH1
SCHEMBL7466529 0.93 TACR2 (0.43) TACR2TACR1TACR3HRH1
SCHEMBL7468051 0.93 TACR2 (0.47) TACR2TACR1TACR3HRH1
SCHEMBL7472246 0.92 TACR2 (0.49) TACR2TACR1TACR3HRH1
SCHEMBL7468446 0.92 TACR2 (0.43) TACR2TACR1TACR3HRH1
SCHEMBL7459620 0.92 TACR2 (0.58) TACR2TACR1TACR3HRH1
SCHEMBL7467886 0.92 TACR2 (0.58) TACR2TACR1TACR3HRH1

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
EP-0946548-B1 NOVEL HETEROCYCLIC SUBSTITUTED PYRROLIDINE AMIDE DERIVATIVES AVENTIS PHARMA INC (US) 2002-03-06 EP disclosed
US-5861417-A TACHYKININ RECEPTOR ANTAGONISTS USEFUL IN TREATING ASTHMA, COUGH, BRONCHITIS, PAIN HOECHST MARION ROUSSEL, INC. (US) 1999-01-19 US disclosed