SCHEMBL9924129

SCHEMBL9924129

O=C(/N=C(/Nc1ccccc1C1CC1)N[C@H]1CC[C@H](O)CC1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.39
DRD2 P14416 3/20 0.39
HTR2A P28223 2/20 0.39
DRD3 P35462 2/20 0.39
SLC9A1 P19634 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGS1 P23219 1/20 0.37
F2R P25116 1/20 0.36
DHODH Q02127 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
EPHX2 P34913 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
DRD4 P21917 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL9924132 0.87 NPC1 (0.39) TRPV1DRD2HTR2ADRD3HSD17B10
SCHEMBL9924231 0.85 LMNA (0.41) TRPV1DRD2PTGS1MAPK11MAPK14
SCHEMBL17206623 0.84 TRPV1 (0.38) TRPV1HSD17B10NPC1RAB9AKMT2A
SCHEMBL9924153 0.82 TRPV1 (0.42) TRPV1MAPK11MAPK14EPHX2MRGPRX4
SCHEMBL9924227 0.80 EPHX2 (0.52) PTGS1EPHX2MEN1KMT2A
SCHEMBL9939456 0.78 SLC9A1 (0.36) TRPV1SLC9A1HSD17B10PTGS1DHODH
SCHEMBL9924262 0.77 UBE2M (0.46) TRPV1PTGS1EPHX2MRGPRX4MEN1
SCHEMBL17206700 0.75 EPHX2 (0.47) TRPV1EPHX2
SCHEMBL9924283 0.75 NPC1 (0.45) HSD17B10EPHX2MEN1NPC1RAB9A
SCHEMBL17206709 0.74 TRPV1 (0.42) TRPV1EPHX2MRGPRX4MEN1KMT2A

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