SCHEMBL17538381

SCHEMBL17538381

CCN1CCC2(CC1)CN(S(=O)(=O)C(F)(F)F)c1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 18/20 0.43
▸ SLC18A3 Q16572 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ TACR1 P25103 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
SCHEMBL13677346 0.86 P2RY1 (0.44) NPY5R
SCHEMBL13016645 0.85 NPY5R (0.57) NPY5RTACR1
SCHEMBL12153109 0.83 P2RY1 (0.46) NPY5RTACR1
SCHEMBL25231257 0.72 MEN1 (0.43) NPY5RSIGMAR1TACR1
SCHEMBL17538386 0.72 NOTUM (0.74) SLC18A3SIGMAR1
SCHEMBL30733420 0.71 ACLY (0.39) NPY5RSLC18A3SIGMAR1TACR1
SCHEMBL26969777 0.71 HTR6 (0.40) NPY5RSLC18A3SIGMAR1TACR1
SCHEMBL25231173 0.70 NPY5R (0.38) NPY5RSLC18A3SIGMAR1TACR1
SCHEMBL6026997 0.70 NPY5R (0.58) NPY5RTACR1
SCHEMBL13209376 0.70 SIGMAR1 (0.42) SIGMAR1

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-1954287-B2 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-02-24 — — EP disclosed
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