SCHEMBL3942200

SCHEMBL3942200

CN(CC(O)c1cccc(OCc2ccccc2)c1)C(=O)Oc1cnc(N(C)C)nc1-c1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.43
PPARG P37231 2/20 0.39
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FFAR2 O15552 1/20 0.37
CYP2C9 P11712 1/20 0.37
PPARA Q07869 1/20 0.37
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB3 P13945 1/20 0.36
PPARD Q03181 2/20 0.36
NR1H4 Q96RI1 2/20 0.36
MEN1 O00255 1/20 0.35
TSPO P30536 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
SCHEMBL3947763 0.91 ALOX5 (0.43) ALOX5KMT2ASMN1; SMN2LTB4RLTB4R2
SCHEMBL3941835 0.90 ALOX5 (0.46) ALOX5KMT2ASMN1; SMN2CYP2C9LTB4R
SCHEMBL3942439 0.88 ALOX5 (0.38) ALOX5KMT2ACYP2C9ADRB2ADRB3
SCHEMBL3951648 0.84 TSPO (0.37) ALOX5PPARGNR1H4TSPO
SCHEMBL3942434 0.81 ALOX5 (0.41) ALOX5KMT2ASMN1; SMN2CYP2C9LTB4R
SCHEMBL1386007 0.81 MEN1 (0.42) KMT2ASMN1; SMN2MEN1
SCHEMBL3951984 0.80 SMN1; SMN2 (0.38) KMT2ASMN1; SMN2MEN1
SCHEMBL3945147 0.79 TSPO (0.37) KMT2ACYP2C9ADRB2MEN1TSPO
SCHEMBL3946482 0.79 ALOX5 (0.39) ALOX5KMT2ACYP2C9ADRB2ADRB3
SCHEMBL1383618 0.78 ALOX5 (0.47) ALOX5KMT2ASMN1; SMN2CYP2C9LTB4R

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-1718632-B1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SANOFI AVENTIS (FR) 2009-04-22 EP claimed