SCHEMBL9924133

SCHEMBL9924133

N[C@H]1CC[C@H](N/C(=N/C(=O)c2ccc(F)c(F)c2)Nc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.47
CCR2 P41597 1/20 0.47
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
LMNA P02545 1/20 0.43
IDH2 P48735 2/20 0.43
DCUN1D1 Q96GG9 7/20 0.43
UBE2M P61081 6/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMYD3 Q9H7B4 1/20 0.42
TRPV4 Q9HBA0 1/20 0.42
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL17206619 0.91 EPHX2 (0.48) EPHX2MAOAMAOBLMNAIDH2
SCHEMBL17206695 0.89 EPHX2 (0.46) EPHX2LMNAIDH2DCUN1D1UBE2M
SCHEMBL17206628 0.87 MEN1 (0.45) EPHX2LMNAMEN1KMT2ASMYD3
SCHEMBL17206682 0.87 TRPV4 (0.48) EPHX2LMNAIDH2DCUN1D1UBE2M
SCHEMBL9924143 0.87 EPHX2 (0.44) EPHX2LMNAIDH2DCUN1D1UBE2M
SCHEMBL9924134 0.86 MAPT (0.46) EPHX2LMNAIDH2DCUN1D1UBE2M
SCHEMBL9924226 0.82 EPHX2 (0.53) EPHX2CCR2LMNAIDH2DCUN1D1
SCHEMBL9924227 0.81 EPHX2 (0.52) EPHX2MAOAMAOBLMNAIDH2
SCHEMBL17206706 0.81 DCUN1D1 (0.52) EPHX2LMNAIDH2DCUN1D1UBE2M
SCHEMBL9924130 0.80 DCUN1D1 (0.52) EPHX2LMNAIDH2DCUN1D1UBE2M

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