SCHEMBL9924241

SCHEMBL9924241

O=C(/N=C(/NCc1ccc(F)c(F)c1)N[C@H]1CC[C@H](O)CC1)c1ccc(F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 1/20 0.40
MCHR1 Q99705 2/20 0.39
P2RX7 Q99572 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
MAPK14 Q16539 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.36
KDM1A O60341 1/20 0.36
DPP4 P27487 1/20 0.36
KCNH2 Q12809 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
PPARG P37231 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTR7 P34969 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
SCHEMBL9924269 0.94 SSTR3 (0.45) SSTR3MCHR1P2RX7SIGMAR1MAPK14
SCHEMBL9924242 0.94 LMNA (0.40) SSTR3MCHR1POLBLMNAALDH1A1
SCHEMBL9924268 0.93 SSTR3 (0.46) SSTR3MCHR1KCNH2PPARGALDH1A1
SCHEMBL9924426 0.93 EPHX1 (0.44) SSTR3MCHR1POLBLMNAKCNH2
SCHEMBL9924239 0.92 MAPK14 (0.36) SSTR3MCHR1P2RX7MAPK14DPP4
SCHEMBL9924429 0.91 NTRK1 (0.43) SIGMAR1ROCK2KDM1AALDH1A1
SCHEMBL17206626 0.90 LMNA (0.42) MCHR1P2RX7MAPK14LMNAKDM1A
SCHEMBL9924428 0.88 SMYD3 (0.46) P2RX7SIGMAR1MAPK14POLBLMNA
SCHEMBL9924237 0.86 SIGMAR1 (0.39) MCHR1SIGMAR1MAPK14ROCK2ROCK1
SCHEMBL17206627 0.86 KMT2A (0.42) SSTR3MCHR1SIGMAR1POLBLMNA

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