SCHEMBL9920808

SCHEMBL9920808

O=C(/N=C(\Nc1cc(C(F)(F)F)[nH]n1)NC1CCCCCC1)c1ccc(F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
STK25 O00506 2/20 0.39
ACKR3 P25106 1/20 0.37
CRHR1 P34998 1/20 0.37
HDAC4 P56524 2/20 0.36
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
TAS1R2 Q8TE23 2/20 0.36
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
EPHX2 P34913 4/20 0.35
BTK Q06187 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL18558471 0.91 STK25 (0.40) NPC1RAB9ASTK25CRHR1HDAC4
SCHEMBL18558588 0.89 RAB9A (0.43) NPC1RAB9ASTK25ACKR3CRHR1
SCHEMBL9921043 0.88 STK25 (0.43) SMN1; SMN2STK25ACKR3HDAC4CCNA2
SCHEMBL9921027 0.88 CCNA2 (0.43) NPC1RAB9ASMN1; SMN2STK25ACKR3
SCHEMBL18558140 0.86 STK25 (0.43) NPC1RAB9ASMN1; SMN2STK25CRHR1
SCHEMBL18558261 0.86 CCNA2 (0.42) NPC1RAB9ASMN1; SMN2STK25CRHR1
SCHEMBL9920897 0.86 STK25 (0.39) NPC1RAB9ASTK25ACKR3CRHR1
SCHEMBL9920918 0.85 CCNA2 (0.51) STK25ACKR3TAS1R3TAS1R1TAS1R2
SCHEMBL9920997 0.85 STK25 (0.39) STK25CRHR1HDAC4CCNA2CDK2
SCHEMBL9920869 0.83 NPC1 (0.42) NPC1RAB9ASMN1; SMN2ACKR3HDAC4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2648511-B1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORP (US) 2017-06-28 EP disclosed
US-9580388-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-9580388-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-9139532-B2 Pyrazolyl guanidine F1F0-atpase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-09-22 US disclosed
US-9139532-B2 Pyrazolyl guanidine F1F0-atpase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-09-22 US disclosed
WO-2012078874-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2012-06-14 WO disclosed