SCHEMBL17090127

SCHEMBL17090127

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](CNc2cccc(OC(F)(F)C(F)F)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
CNR2 P34972 6/20 0.36
CRHR1 P34998 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
CNR1 P21554 2/20 0.36
CCNB2 O95067 1/20 0.35
CCNE2 O96020 1/20 0.35
CDK1 P06493 1/20 0.35
FGFR1 P11362 1/20 0.35
CDK4 P11802 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNA2 P20248 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR4 P22455 1/20 0.35
FGFR3 P22607 1/20 0.35
CCND1 P24385 1/20 0.35
CCNE1 P24864 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
SCHEMBL11936200 0.91 SLC22A12 (0.42) CNR2CRHR1CNR1MCHR1ADRA2A
SCHEMBL17090095 0.88 EPHX2 (0.40) EPHX2LMNAPOLBCRHR1BRD4
SCHEMBL11936203 0.85 CNR2 (0.39) LMNAPOLBCNR2CRHR1CNR1
SCHEMBL13565132 0.83 NR1H4 (0.40) BRD4
SCHEMBL13565478 0.83 CRHR1 (0.40) LMNAPOLBCNR2CRHR1BRD4
SCHEMBL13565482 0.83 HDAC4 (0.41) LMNACRHR1BRD4HCRTR1HCRTR2
SCHEMBL17090309 0.83 HDAC4 (0.41) LMNACRHR1BRD4HCRTR1HCRTR2
SCHEMBL17090319 0.83 CRHR1 (0.40) LMNAPOLBCNR2CRHR1BRD4
SCHEMBL17090000 0.83 NR1H4 (0.40) BRD4
SCHEMBL13565615 0.82 F10 (0.37) LMNAPOLBCNR2CRHR1BRD4

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
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed