SCHEMBL2478765

SCHEMBL2478765

CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1.O=C(O)NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 0.53
TACR2 P21452 1/20 0.53
TACR1 P25103 1/20 0.53

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
SCHEMBL2480011 0.96 TACR3 (0.53) TACR3TACR2TACR1
SCHEMBL2478872 0.92 TACR3 (0.54) TACR3TACR2TACR1
SCHEMBL2480008 0.88 TACR3 (0.50) TACR3TACR2TACR1
SCHEMBL2477254 0.87 TACR3 (0.64) TACR3TACR2TACR1
SCHEMBL2480443 0.87 TACR3 (0.64) TACR3TACR2TACR1
SCHEMBL2475663 0.87 TACR3 (0.64) TACR3TACR2TACR1
SCHEMBL2478967 0.85 TACR3 (0.48) TACR3TACR2TACR1
SCHEMBL2481896 0.85 TACR3 (0.55) TACR3TACR2TACR1
SCHEMBL2479326 0.82 TACR3 (0.67) TACR3TACR2TACR1
SCHEMBL2477155 0.82 TACR2 (0.53) 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 claimed