SCHEMBL7464602

SCHEMBL7464602

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

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.49
TACR2 P21452 7/20 0.49
HRH1 P35367 5/20 0.44
TACR3 P29371 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
SCHEMBL7461879 0.96 TACR2 (0.49) TACR1TACR2HRH1TACR3
SCHEMBL7468051 0.94 TACR2 (0.47) TACR1TACR2HRH1TACR3
SCHEMBL7466590 0.94 TACR1 (0.42) TACR1TACR2HRH1
SCHEMBL7462633 0.94 TACR2 (0.51) TACR1TACR2HRH1TACR3
SCHEMBL7467628 0.94 TACR2 (0.48) TACR1TACR2HRH1TACR3
SCHEMBL7472607 0.93 TACR1 (0.44) TACR1TACR2HRH1
SCHEMBL7464667 0.93 TACR2 (0.46) TACR1TACR2HRH1TACR3
SCHEMBL7468558 0.93 TACR2 (0.46) TACR1TACR2HRH1TACR3
SCHEMBL7457091 0.92 TACR1 (0.44) TACR1TACR2HRH1TACR3
SCHEMBL7467886 0.92 TACR2 (0.58) TACR1TACR2HRH1TACR3

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