SCHEMBL5490306

SCHEMBL5490306

O=C(c1ccc(C(F)(F)F)c(Cl)c1)N(c1ccc(C(F)(F)F)c(Cl)c1)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.45
CHRM3 P20309 4/20 0.45
NOTUM Q6P988 1/20 0.41
GPBAR1 Q8TDU6 2/20 0.40
TACR1 P25103 2/20 0.39
KCNH2 Q12809 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD11B1 P28845 3/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
POLQ O75417 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
SCHEMBL5310507 0.75 CHRM2 (0.46) CHRM2CHRM3GPBAR1TACR1KCNH2
SCHEMBL16506294 0.74 HSD11B1 (0.51) NOTUMHSD11B1
SCHEMBL10532934 0.71 KMO (0.43) NOTUMGPBAR1
SCHEMBL29624981 0.71 TSHR (0.59) NOTUM
SCHEMBL1920001 0.71 TSHR (0.59) NOTUM
SCHEMBL24400223 0.71 KMO (0.43) NOTUMGPBAR1
SCHEMBL9526608 0.71 NOTUM (0.46) NOTUMGPBAR1
SCHEMBL30255650 0.71 NOTUM (0.46) NOTUMGPBAR1
SCHEMBL5498972 0.70 TAS1R3 (0.60) MEN1KMT2A
SCHEMBL313146 0.70 KIF11 (0.54) NOTUMGPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 WO disclosed