SCHEMBL9924239

SCHEMBL9924239

O=C(/N=C(/NCc1cc(F)cc(F)c1)N[C@H]1CC[C@H](O)CC1)c1ccc(F)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.36
MC5R P33032 1/20 0.36
AURKA O14965 1/20 0.36
MCHR1 Q99705 3/20 0.36
SSTR3 P32745 3/20 0.35
DPP4 P27487 1/20 0.35
KCNH2 Q12809 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
CYP2C9 P11712 2/20 0.34
AR P10275 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
P2RX7 Q99572 2/20 0.34
CCR2 P41597 1/20 0.34
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33

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
SCHEMBL9924242 0.92 LMNA (0.40) MCHR1SSTR3
SCHEMBL9924241 0.92 SSTR3 (0.40) MAPK14MCHR1SSTR3DPP4KCNH2
SCHEMBL9924429 0.91 NTRK1 (0.43) ADRA1A
SCHEMBL9924426 0.89 EPHX1 (0.44) MCHR1SSTR3KCNH2CYP2C9
SCHEMBL9924268 0.87 SSTR3 (0.46) MCHR1SSTR3KCNH2CYP2C9
SCHEMBL9924237 0.87 SIGMAR1 (0.39) MAPK14MCHR1DPP4KCNH2DPP7
SCHEMBL9924066 0.86 CHRM1 (0.41) MAPK14MCHR1CYP2C9AR
SCHEMBL9924269 0.86 SSTR3 (0.45) MAPK14MC5RMCHR1SSTR3KCNH2
SCHEMBL17206626 0.86 LMNA (0.42) MAPK14MCHR1TAS1R3TAS1R1TAS1R2
SCHEMBL9924243 0.86 P2RX7 (0.39) MAPK14MCHR1P2RX7

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
US-9169199-B2 Cycloalkyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-10-27 US disclosed
US-9169199-B2 Cycloalkyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-10-27 US disclosed
WO-2012078867-A2 CYCLOALKYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2012-06-14 WO disclosed