SCHEMBL2477328

SCHEMBL2477328

CN(Cc1ccc(F)cc1)C(=O)O.O=C(N1CCCCC1)C1(c2ccccc2)CCN(C[C@@H]2C[C@@H]2c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 16/20 0.53
HSD11B1 P28845 3/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL2474123 0.98 TACR3 (0.53) TACR3HSD11B1MEN1KMT2A
SCHEMBL2477738 0.94 TACR3 (0.53) TACR3HSD11B1
SCHEMBL2477331 0.94 TACR3 (0.58) TACR3HSD11B1MEN1KMT2A
SCHEMBL2478361 0.89 TACR3 (0.52) TACR3HSD11B1MEN1KMT2A
SCHEMBL2480905 0.89 TACR3 (0.51) TACR3
SCHEMBL2476664 0.88 TACR3 (0.58) TACR3HSD11B1MEN1KMT2A
SCHEMBL2474067 0.87 TACR3 (0.51) TACR3
SCHEMBL2477401 0.85 TACR3 (0.44) TACR3HSD11B1MEN1KMT2A
SCHEMBL2480350 0.85 TACR3 (0.67) TACR3HSD11B1MEN1KMT2A
SCHEMBL2477257 0.83 TACR3 (0.54) TACR3

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