SCHEMBL9924153

SCHEMBL9924153

O=C(/N=C(/Nc1cccc(Cl)c1F)N[C@H]1CC[C@H](O)CC1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
CRHR1 P34998 5/20 0.40
EPHX2 P34913 3/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 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
SCHEMBL9924129 0.82 TRPV1 (0.39) TRPV1MRGPRX4EPHX2MAPK11MAPK14
SCHEMBL9924231 0.82 LMNA (0.41) TRPV1MRGPRX4EPHX2ALDH1A1MAPK11
SCHEMBL9924262 0.82 UBE2M (0.46) TRPV1MRGPRX4EPHX2ALDH1A1
SCHEMBL17206709 0.81 TRPV1 (0.42) TRPV1MRGPRX4EPHX2ALDH1A1
SCHEMBL9924227 0.80 EPHX2 (0.52) EPHX2
SCHEMBL9924261 0.79 TRPV1 (0.42) TRPV1MRGPRX4CRHR1EPHX2ALDH1A1
SCHEMBL17206706 0.78 DCUN1D1 (0.52) EPHX2
SCHEMBL19362654 0.75 TRPV1 (0.42) TRPV1MRGPRX4CRHR1EPHX2MAPK11
SCHEMBL9924230 0.73 MCHR1 (0.40) EPHX2
SCHEMBL9924130 0.73 DCUN1D1 (0.52) MRGPRX4EPHX2ALDH1A1

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 2 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
WO-2012078867-A2 CYCLOALKYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2012-06-14 WO disclosed