SCHEMBL8935235

SCHEMBL8935235

CNC(=O)C(N)(CO)Cc1ccc(OCCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
PPARA Q07869 8/20 0.47
PPARG P37231 3/20 0.46
S1PR4 O95977 1/20 0.45
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
S1PR5 Q9H228 1/20 0.45
LTA4H P09960 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL8935242 0.81 MAOB (0.51) FFAR1NPC1RAB9ALTA4H
SCHEMBL8935237 0.81 MAOB (0.51) FFAR1NPC1RAB9ALTA4H
SCHEMBL8935234 0.79 FFAR1 (0.51) FFAR1NPC1RAB9APPARAPPARG
SCHEMBL7144602 0.78 FFAR1 (0.50) FFAR1PPARAPPARGS1PR1S1PR3
SCHEMBL8935294 0.78 MAOB (0.51) NPC1RAB9APPARAPPARG
SCHEMBL8935318 0.78 SCN3A (0.53)
SCHEMBL8935303 0.77 MAOB (0.54) S1PR1S1PR5
SCHEMBL8935258 0.77 MAOB (0.54)
SCHEMBL8935354 0.77 MAOB (0.55) FFAR1
SCHEMBL8935383 0.76 MAOB (0.57) FFAR1S1PR1S1PR5

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
US-5502079-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-03-26 US disclosed