SCHEMBL7464667

SCHEMBL7464667

COc1ccc(-n2cnnn2)cc1C(=O)N1CCC(CCN2CCC(NC=O)(c3ccccc3)CC2)(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 10/20 0.46
TACR1 P25103 10/20 0.46
HRH1 P35367 2/20 0.42
TACR3 P29371 1/20 0.42

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
SCHEMBL7461879 0.94 TACR2 (0.49) TACR2TACR1HRH1TACR3
SCHEMBL7464602 0.93 TACR1 (0.49) TACR2TACR1HRH1TACR3
SCHEMBL7468558 0.92 TACR2 (0.46) TACR2TACR1HRH1TACR3
SCHEMBL7462633 0.92 TACR2 (0.51) TACR2TACR1HRH1TACR3
SCHEMBL7467628 0.91 TACR2 (0.48) TACR2TACR1HRH1TACR3
SCHEMBL7468051 0.90 TACR2 (0.47) TACR2TACR1HRH1TACR3
SCHEMBL7464428 0.90 TACR2 (0.58) TACR2TACR1HRH1TACR3
SCHEMBL7467886 0.90 TACR2 (0.58) TACR2TACR1HRH1TACR3
SCHEMBL7459620 0.90 TACR2 (0.58) TACR2TACR1HRH1TACR3
SCHEMBL7465298 0.90 TACR2 (0.48) TACR2TACR1HRH1TACR3

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