SCHEMBL8440499

SCHEMBL8440499

COc1ccc(-n2cnnn2)cc1C(=O)N1CCC(CCN2CCC(C(=O)NO)(c3ccccn3)CC2)(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 11/20 0.56
TACR1 P25103 11/20 0.56
TACR3 P29371 1/20 0.52
HRH1 P35367 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
SCHEMBL8441057 0.93 TACR2 (0.49) TACR2TACR1TACR3HRH1
SCHEMBL8444346 0.93 TACR2 (0.48) TACR2TACR1TACR3HRH1
SCHEMBL8434741 0.93 TACR2 (0.47) TACR2TACR1TACR3HRH1
SCHEMBL8441444 0.92 TACR2 (0.46) TACR2TACR1TACR3HRH1
SCHEMBL8442751 0.92 TACR1 (0.47) TACR2TACR1TACR3HRH1
SCHEMBL8439962 0.92 TACR2 (0.65) TACR2TACR1TACR3HRH1
SCHEMBL8441186 0.92 TACR2 (0.65) TACR2TACR1TACR3HRH1
SCHEMBL8435623 0.92 TACR2 (0.65) TACR2TACR1TACR3HRH1
SCHEMBL8437251 0.92 TACR2 (0.49) TACR2TACR1TACR3HRH1
SCHEMBL8440811 0.91 TACR2 (0.46) 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-A1 NOVEL HETEROCYCLIC SUBSTITUTED PYRROLIDINE AMIDE DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1999-10-06 EP disclosed
WO-1998027086-A1 NOVEL HETEROCYCLIC SUBSTITUTED PYRROLIDINE AMIDE DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1998-06-25 WO disclosed