SCHEMBL2480415

SCHEMBL2480415

CN(Cc1ccccc1Cl)C(=O)[C@@]1(c2ccc(Cl)cc2)C[C@H]1CO

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 14/20 0.51
SLC6A3 Q01959 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
HSD11B1 P28845 1/20 0.41
TACR2 P21452 1/20 0.41
TACR1 P25103 1/20 0.41

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
SCHEMBL2476644 0.93 TACR3 (0.55) TACR3SLC6A3SLC6A2SLC6A4
SCHEMBL2478849 0.91 TACR3 (0.51) TACR3SLC6A3SLC6A2SLC6A4TACR2
SCHEMBL2482572 0.89 TACR3 (0.63) TACR3TACR2TACR1
SCHEMBL2478511 0.88 TACR3 (0.51) TACR3TACR2TACR1
SCHEMBL2477546 0.87 TACR3 (0.55) TACR3SLC6A3SLC6A2SLC6A4TACR2
SCHEMBL2476832 0.81 TACR3 (0.61) TACR3TACR2TACR1
SCHEMBL2479387 0.80 TACR3 (0.67) TACR3TACR2TACR1
SCHEMBL2478297 0.80 TACR3 (0.67) TACR3TACR2TACR1
SCHEMBL2477496 0.78 TACR3 (0.72) TACR3TACR2TACR1
SCHEMBL2475515 0.78 TACR3 (0.72) 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