SCHEMBL7501781

SCHEMBL7501781

CC(=O)N(C1CCCC1)C(CO)(c1cccc(C(F)(F)F)c1)c1ccnc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CETP P11597 2/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
MAP3K12 Q12852 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
TAS1R2 Q8TE23 2/20 0.35
EPHX1 P07099 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL7507291 0.73 CETP (0.45) KMT2AALDH1A1CETPLMNAHTT
SCHEMBL6185816 0.70 SYK (0.41) POLBALDH1A1CETPLMNAL3MBTL1
SCHEMBL6186146 0.70 PNMT (0.43) ALDH1A1LMNATSHRHTTHSD17B10
SCHEMBL5201104 0.69 EPHX1 (0.40) POLBRAB9AMEN1KMT2AALDH1A1
SCHEMBL29518423 0.66 NOS3 (0.59) ALDH1A1TSHRL3MBTL1
SCHEMBL607015 0.66 NOS3 (0.59) ALDH1A1TSHRL3MBTL1
SCHEMBL7559508 0.62 CES2 (0.70) POLBLMNATSHRHSD17B10
SCHEMBL4025014 0.60 DDR1 (0.52) RAB9AALDH1A1CETPTSHRSMN1; SMN2
SCHEMBL6921909 0.59 POLB (0.63) POLBRAB9AMEN1KMT2AALDH1A1
SCHEMBL24852891 0.59 NR3C2 (0.51)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109803-A4 SUBSTITUTED IMIDAZOLES HAVING CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 2002-10-29 EP disclosed
EP-1109803-A1 SUBSTITUTED IMIDAZOLES HAVING CYTOKINE INHIBITORY ACTIVITY Merck & Co., Inc. (US) 2001-06-27 EP disclosed
WO-2000006563-A1 SUBSTITUTED IMIDAZOLES HAVING CYTOKINE INHIBITORY ACTIVITY MERCK & CO., INC. (US) 2000-02-10 WO disclosed