SCHEMBL5789206

SCHEMBL5789206

CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)CCc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 0.85
TACR2 P21452 1/20 0.85
TACR1 P25103 1/20 0.85

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
SCHEMBL5789978 1.00 TACR3 (0.85) TACR3TACR2TACR1
SCHEMBL6023627 0.93 TACR3 (0.86) TACR3TACR2TACR1
SCHEMBL2479624 0.92 TACR3 (1.00) TACR3TACR2TACR1
SCHEMBL2479054 0.92 TACR3 (1.00) TACR3TACR2TACR1
SCHEMBL2479210 0.92 TACR3 (1.00) TACR3TACR2TACR1
SCHEMBL2474737 0.92 TACR3 (1.00) TACR3TACR2TACR1
SCHEMBL2473336 0.92 TACR3 (1.00) TACR3TACR2TACR1
SCHEMBL5791165 0.89 TACR3 (0.79) TACR3TACR2TACR1
SCHEMBL5790475 0.89 TACR3 (0.79) TACR3TACR2TACR1
SCHEMBL5790528 0.88 TACR3 (0.85) 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
WO-2005016884-A9 CYCLOPROPYL DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS LUNDBECK & CO AS H (DK) 2006-03-16 WO disclosed