SCHEMBL9924227

SCHEMBL9924227

O=C(/N=C(\Nc1cccc(C(F)(F)F)c1)N[C@H]1CC[C@H](O)CC1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.52
LMNA P02545 1/20 0.47
IDH2 P48735 3/20 0.47
UBE2M P61081 3/20 0.46
DCUN1D1 Q96GG9 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
PTGS1 P23219 1/20 0.45
MAPT P10636 1/20 0.44
GPR52 Q9Y2T5 1/20 0.44
DGAT1 O75907 1/20 0.43

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
SCHEMBL17206706 0.93 DCUN1D1 (0.52) EPHX2LMNAIDH2UBE2MDCUN1D1
SCHEMBL9924226 0.93 EPHX2 (0.53) EPHX2LMNAIDH2UBE2MDCUN1D1
SCHEMBL9924262 0.91 UBE2M (0.46) EPHX2LMNAIDH2UBE2MDCUN1D1
SCHEMBL17206619 0.90 EPHX2 (0.48) EPHX2LMNAIDH2UBE2MDCUN1D1
SCHEMBL9924130 0.88 DCUN1D1 (0.52) EPHX2LMNAIDH2UBE2MDCUN1D1
SCHEMBL17206726 0.86 EPHX2 (0.47) EPHX2LMNAIDH2UBE2MDCUN1D1
SCHEMBL17206709 0.84 TRPV1 (0.42) EPHX2MEN1KMT2AMAOB
SCHEMBL9924261 0.82 TRPV1 (0.42) EPHX2MEN1KMT2A
SCHEMBL9924133 0.81 EPHX2 (0.47) EPHX2LMNAIDH2UBE2MDCUN1D1
SCHEMBL17206719 0.80 DCUN1D1 (0.47) EPHX2LMNAIDH2UBE2MDCUN1D1

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