SCHEMBL2856343

SCHEMBL2856343

O=C(O)[C@H]1CCN(Cc2cc(C(F)(F)F)ccc2C(F)(F)F)[C@@H](c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 3/20 0.43
▸ FFAR1 O14842 12/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.39
▸ SERPINE1 P05121 1/20 0.39
▸ MGLL Q99685 2/20 0.38
▸ ENPP2 Q13822 1/20 0.38

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
SCHEMBL2856340 1.00 NOTUM (0.43) NOTUMFFAR1FFAR4SERPINE1MGLL
SCHEMBL2856341 1.00 NOTUM (0.43) NOTUMFFAR1FFAR4SERPINE1MGLL
SCHEMBL4515377 0.88 ENPP2 (0.42) FFAR1ENPP2
SCHEMBL2853997 0.85 PSEN1 (0.51) FFAR1FFAR4
SCHEMBL8267623 0.85 PSEN1 (0.51) FFAR1FFAR4
SCHEMBL2853999 0.85 PSEN1 (0.51) FFAR1FFAR4
SCHEMBL13604399 0.85 FFAR1 (0.43) FFAR1FFAR4
SCHEMBL2876179 0.85 FFAR1 (0.43) FFAR1FFAR4
SCHEMBL2877745 0.85 FFAR1 (0.43) FFAR1FFAR4
SCHEMBL2863855 0.81 FFAR1 (0.38) FFAR1FFAR4

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-1805141-B1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2010-01-20 — — EP disclosed
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