SCHEMBL4609755

SCHEMBL4609755

CN(C)C(=O)C1(N2CCCCC2)CCN(CCC(CNCC(=O)C2CCCCC2)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.46
TACR2 P21452 8/20 0.45
TACR1 P25103 2/20 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
SCHEMBL14434394 0.86 TACR2 (0.51) MCHR1TACR2TACR1
SCHEMBL4609449 0.86 TACR2 (0.55) MCHR1TACR2TACR1
SCHEMBL4611535 0.85 TACR2 (0.53) TACR2TACR1
SCHEMBL4609756 0.85 TACR2 (0.55) TACR2TACR1
SCHEMBL4609840 0.79 TACR2 (0.50) TACR2TACR1
SCHEMBL4610212 0.77 TACR2 (0.36) MCHR1TACR2
SCHEMBL14435100 0.77 TACR2 (0.77) TACR2TACR1
SCHEMBL4609451 0.77 TACR2 (0.77) TACR2TACR1
SCHEMBL4610897 0.76 TACR2 (0.54) TACR2TACR1
SCHEMBL14435418 0.76 TACR2 (0.66) TACR2TACR1

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-1979319-A1 NOVEL DUAL NK2/NK3-ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND PROCESSES FOR THEIR PREPARATIONS Solvay Pharmaceuticals GmbH (DE) 2008-10-15 EP disclosed
WO-2007088181-A1 NOVEL DUAL NK2/NK3-ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND PROCESSES FOR THEIR PREPARATIONS SOLVAY PHARMACEUTICALS GMBH (DE) 2007-08-09 WO disclosed