SCHEMBL1123090

SCHEMBL1123090

O=C(Nc1ccccc1OCc1ccccc1)c1ccc(OCc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.65
MAOB P27338 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
CASP3 P42574 1/20 0.60
TAAR1 Q96RJ0 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
MRGPRX4 Q96LA9 4/20 0.56
FFAR1 O14842 1/20 0.55
FFAR4 Q5NUL3 1/20 0.55
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
MAPK14 Q16539 1/20 0.53
NR1H4 Q96RI1 1/20 0.53
RXFP1 Q9HBX9 1/20 0.52
SPHK2 Q9NRA0 1/20 0.52
SPHK1 Q9NYA1 1/20 0.52

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
SCHEMBL38660470 0.92 MRGPRX4 (0.62) NR4A2MAOBMRGPRX4RXFP1
SCHEMBL1123502 0.84 SMN1; SMN2 (0.61) MAOBSMN1; SMN2NPC1RAB9ACASP3
SCHEMBL1123418 0.84 NR1H4 (0.65) MAOBSMN1; SMN2NPC1RAB9ACASP3
SCHEMBL8148879 0.84 NR1H4 (0.71) NR4A2MAOBSMN1; SMN2NPC1RAB9A
SCHEMBL1123220 0.83 NPC1 (0.60) MAOBSMN1; SMN2NPC1RAB9ACASP3
SCHEMBL1123360 0.83 KDM4E (0.62) SMN1; SMN2NPC1RAB9ACASP3TAAR1
SCHEMBL25426801 0.81 BRD4 (0.67) NR4A2MAOBMRGPRX4FFAR4RXFP1
SCHEMBL29824416 0.81 BRD4 (0.67) NR4A2MAOBMRGPRX4FFAR4RXFP1
SCHEMBL4206544 0.81 NR4A2 (0.64) NR4A2MAOBSMN1; SMN2NPC1RAB9A
SCHEMBL1123139 0.80 NPC1 (0.74) MAOBSMN1; SMN2NPC1RAB9ACASP3

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-1644321-B1 NEW BENZAMIDES AS PPATY MODULATORS S A L V A T LAB SA (ES) 2011-02-09 EP claimed