SCHEMBL8935294

SCHEMBL8935294

CNC(=O)C(N)(CO)Cc1ccc(OCc2ccccc2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.51
MAOA P21397 1/20 0.51
NR4A2 P43354 2/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
ADAM17 P78536 1/20 0.46
LMNA P02545 1/20 0.43
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HTT P42858 1/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PPARG P37231 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
SCHEMBL8935318 0.87 SCN3A (0.53) MAOB
SCHEMBL8935304 0.86 MAOB (0.53) MAOBMAOANR4A2CYP1A2CYP3A4
SCHEMBL8935354 0.85 MAOB (0.55) MAOBMAOAADAM17KMT2A
SCHEMBL8935291 0.84 MAOB (0.51) MAOBMAOANR4A2CYP1A2CYP3A4
SCHEMBL8935303 0.81 MAOB (0.54) MAOBMAOA
SCHEMBL8935289 0.80 MAOB (0.51) MAOBMAOANR4A2CYP1A2CYP3A4
SCHEMBL8935242 0.78 MAOB (0.51) MAOBMAOANR4A2MAPTGAA
SCHEMBL8935237 0.78 MAOB (0.51) MAOBMAOANR4A2MAPTGAA
SCHEMBL8935235 0.78 FFAR1 (0.51) RAB9ANPC1PPARGPPARA
SCHEMBL8935285 0.78 MAOB (0.56) MAOBMAOANR4A2CYP1A2CYP3A4

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