SCHEMBL9924169

SCHEMBL9924169

O=C(/N=C(/Nc1cccc(Cl)c1)N[C@H]1CC[C@H](NC(=O)c2ccccc2)CC1)c1ccc(F)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.49
NPC1 O15118 7/20 0.48
RAB9A P51151 6/20 0.48
GRM5 P41594 7/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.43
EPHX1 P07099 1/20 0.43
TSHR P16473 1/20 0.43
EPHX2 P34913 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
SCHEMBL9924457 0.90 NPC1 (0.43) CRHR1NPC1RAB9AGRM5MEN1
SCHEMBL9924260 0.89 MEN1 (0.46) CRHR1NPC1RAB9AL3MBTL1MEN1
SCHEMBL17206628 0.88 MEN1 (0.45) CRHR1NPC1RAB9AMEN1KMT2A
SCHEMBL9924171 0.86 DRD2 (0.47) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL9924168 0.86 ACKR3 (0.44) CRHR1GRM5L3MBTL1
SCHEMBL9924144 0.85 MEN1 (0.42) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL17206687 0.84 KCNQ3 (0.45) NPC1RAB9AGRM5MEN1KMT2A
SCHEMBL9924422 0.84 KCNQ3 (0.42) NPC1RAB9AGRM5MEN1KMT2A
SCHEMBL17206698 0.84 GRM5 (0.51) NPC1RAB9AGRM5MEN1KMT2A
SCHEMBL9924128 0.83 MEN1 (0.41) NPC1RAB9AMEN1KMT2ALMNA

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