SCHEMBL9924130

SCHEMBL9924130

O=C(/N=C(/Nc1cccc(C(F)(F)F)c1)N[C@H]1CC[C@H](O)CC1)c1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 6/20 0.52
UBE2M P61081 5/20 0.52
MAPT P10636 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49
EPHX2 P34913 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
GPR52 Q9Y2T5 1/20 0.43
SLC2A1 P11166 1/20 0.43
P2RX1 P51575 1/20 0.43
P2RX4 Q99571 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
SCHEMBL9924226 0.93 EPHX2 (0.53) DCUN1D1UBE2MMAPTMEN1KMT2A
SCHEMBL17206706 0.91 DCUN1D1 (0.52) DCUN1D1UBE2MMAPTMEN1KMT2A
SCHEMBL9924131 0.90 NPC1 (0.50) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL9924262 0.89 UBE2M (0.46) DCUN1D1UBE2MMAPTMEN1KMT2A
SCHEMBL17206619 0.89 EPHX2 (0.48) DCUN1D1UBE2MMAPTMEN1KMT2A
SCHEMBL9924227 0.88 EPHX2 (0.52) DCUN1D1UBE2MMAPTMEN1KMT2A
SCHEMBL9924260 0.83 MEN1 (0.46) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9924214 0.83 MEN1 (0.49) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL9924222 0.82 CYP2D6 (0.44) MEN1KMT2ALMNAEPHX2CYP2D6
SCHEMBL17206624 0.82 CYP2D6 (0.44) MEN1KMT2ALMNAEPHX2CYP2D6

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