SCHEMBL2473300

SCHEMBL2473300

CN(Cc1ccccc1Cl)C(=O)C1(c2ccc(Cl)c(Cl)c2)CC1CN1CCC(C(=O)N2CCCCC2)(c2ccccc2)CC1

nearest known ligand 0.87

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 0.87
TACR2 P21452 1/20 0.62
TACR1 P25103 1/20 0.62

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
SCHEMBL2475690 1.00 TACR3 (0.87) TACR3TACR2TACR1
SCHEMBL2477367 0.93 TACR3 (1.00) TACR3TACR2TACR1
SCHEMBL2479311 0.93 TACR3 (1.00) TACR3TACR2TACR1
SCHEMBL2477061 0.92 TACR3 (0.73) TACR3TACR2TACR1
SCHEMBL2479817 0.92 TACR3 (0.73) TACR3TACR2TACR1
SCHEMBL2480923 0.92 TACR3 (0.73) TACR3TACR2TACR1
SCHEMBL2477281 0.92 TACR3 (0.73) TACR3TACR2TACR1
SCHEMBL2473983 0.91 TACR3 (0.71) TACR3
SCHEMBL2476364 0.91 TACR3 (0.71) TACR3
SCHEMBL3752488 0.86 TACR3 (0.75) TACR3TACR2TACR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656349-B1 CYCLOPROPYL DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS LUNDBECK & CO AS H (DK) 2011-10-12 EP disclosed