SCHEMBL2477412

SCHEMBL2477412

CN(Cc1ccccc1Cl)C(=O)O.O=C(N1CCCCC1)C1(c2ccccc2)CCN(C[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 18/20 0.60
TACR2 P21452 1/20 0.42
TACR1 P25103 1/20 0.42
HSD11B1 P28845 1/20 0.40

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
SCHEMBL2480350 0.93 TACR3 (0.67) TACR3TACR2TACR1HSD11B1
SCHEMBL2480276 0.92 TACR3 (0.54) TACR3HSD11B1
SCHEMBL2475976 0.92 TACR3 (0.52) TACR3HSD11B1
SCHEMBL2478361 0.91 TACR3 (0.52) TACR3HSD11B1
SCHEMBL2478285 0.85 TACR3 (0.54) TACR3TACR2TACR1HSD11B1
SCHEMBL2482753 0.84 TACR3 (0.57) TACR3TACR2TACR1
SCHEMBL2476664 0.84 TACR3 (0.58) TACR3HSD11B1
SCHEMBL2479444 0.84 TACR3 (0.65) TACR3TACR2TACR1
SCHEMBL2477331 0.83 TACR3 (0.58) TACR3TACR2TACR1HSD11B1
SCHEMBL2478604 0.82 TACR3 (0.52) 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