SCHEMBL2477280

SCHEMBL2477280

CC(C)(NC(=O)[C@@]1(c2ccccc2)C[C@H]1CO)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.47
SLC6A4 P31645 8/20 0.45
SSTR4 P31391 1/20 0.42
SLC6A3 Q01959 6/20 0.40
CYP2D6 P10635 1/20 0.40
HTR2C P28335 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
MAOB P27338 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
SCHEMBL2477910 0.92 TMEM97 (0.42) SLC6A2
SCHEMBL2481589 0.92 RORC (0.41) SLC6A2SLC6A4SSTR4MAOB
SCHEMBL2476151 0.86 TACR3 (0.40) SLC6A2SLC6A4SSTR4
SCHEMBL2481591 0.86 TACR3 (0.41) SLC6A4SLC6A3
SCHEMBL17735432 0.78 SLC6A4 (0.56) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL16252050 0.75 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL3745740 0.75 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL6023093 0.75 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL13835677 0.75 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CYP2D6HTR2C
SCHEMBL5790811 0.75 SIGMAR1 (0.61) HTR2C

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