SCHEMBL5797952

SCHEMBL5797952

CC(C)(Cc1ccc(OCc2ccccn2)cc1)Cc1ccc(-c2nnn(CC3CCCN3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
LTA4H P09960 2/20 0.36
ALOX5AP P20292 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
BTK Q06187 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35

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
SCHEMBL5197341 1.00 MAOB (0.38) MAOBSMN1; SMN2NPC1LMNATP53
SCHEMBL2248325 0.88 NPC1 (0.39) MAOBSMN1; SMN2NPC1LMNATP53
SCHEMBL2246935 0.88 NPC1 (0.39) MAOBSMN1; SMN2NPC1LMNATP53
SCHEMBL5800050 0.86 MAOB (0.39) MAOBSMN1; SMN2NPC1LMNATP53
SCHEMBL5198442 0.82 MAOB (0.48) MAOBSMN1; SMN2NPC1LMNATP53
SCHEMBL12920621 0.80 ALOX5AP (0.51) ALOX5AP
SCHEMBL1025071 0.80 ALOX5AP (0.51) ALOX5AP
SCHEMBL977295 0.80 ALOX5AP (0.51) ALOX5AP
SCHEMBL5795604 0.79 NPC1 (0.54) MAOBSMN1; SMN2NPC1LMNATP53
SCHEMBL2246968 0.74 NPC1 (0.41) MAOBSMN1; SMN2NPC1LMNATP53

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
WO-2006044602-A9 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIIBITORS MERCK & CO INC (US) 2006-06-08 WO disclosed