SCHEMBL7259089

SCHEMBL7259089

CC(C)C(CO)NC(=O)C1CCC(c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.49
TRPV3 Q8NET8 5/20 0.47
ACKR3 P25106 1/20 0.43
JAK2 O60674 1/20 0.41
CNR2 P34972 2/20 0.40
CNR1 P21554 1/20 0.39
KDM1A O60341 2/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
VCP P55072 1/20 0.38
CYP11B2 P19099 1/20 0.37
PDE2A O00408 4/20 0.37
MAPK1 P28482 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CSNK1D P48730 1/20 0.37
RPS6KA3 P51812 1/20 0.37

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
SCHEMBL5210647 0.87 TRPV3 (0.46) KCNH2TRPV3CNR2CNR1KDM1A
SCHEMBL5207199 0.83 KCNH2 (0.51) KCNH2ACKR3JAK2CNR2CNR1
SCHEMBL5203000 0.80 KCNH2 (0.46) KCNH2JAK2KDM1AMAOAMAOB
SCHEMBL5202992 0.80 KCNH2 (0.46) KCNH2JAK2KDM1AMAOAMAOB
SCHEMBL14608992 0.80 KCNH2 (0.47) KCNH2JAK2KDM1AMAOAMAOB
SCHEMBL5206565 0.80 KCNH2 (0.47) KCNH2JAK2KDM1AMAOAMAOB
SCHEMBL5205158 0.80 KCNH2 (0.47) KCNH2JAK2KDM1AMAOAMAOB
SCHEMBL5207210 0.79 KDM1A (0.55) KCNH2JAK2KDM1AMAOAMAOB
SCHEMBL5207439 0.78 KCNH2 (0.50) KCNH2JAK2KDM1AMAOAMAOB
SCHEMBL5206605 0.78 KCNH2 (0.51) KCNH2JAK2KDM1AMAOAMAOB

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
WO-2003104255-A2 SUBSTITUTED 2-CYCLOHEXYL-4-PHENYL-1H-IMIDAZOLE DERIVATIVES NEUROGEN CORPORATION (US) 2003-12-18 WO claimed