SCHEMBL8698684

SCHEMBL8698684

CCCCn1cc(C(=O)OCC)c(NC(=O)NC2CCCCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.43
CNR1 P21554 7/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EPHX1 P07099 1/20 0.42
EPHX2 P34913 1/20 0.42
NPC1 O15118 3/20 0.42
ADORA3 P0DMS8 1/20 0.41
FAAH O00519 2/20 0.41
MEN1 O00255 1/20 0.41
S1PR2 O95136 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
XBP1 P17861 1/20 0.41
NR2F2 P24468 1/20 0.41
PPP1CA P62136 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL8696502 0.94 RAB9A (0.44) CNR2CNR1RAB9ASMN1; SMN2NPC1
SCHEMBL8693117 0.90 MAPT (0.50) CNR2CNR1RAB9ANPC1FAAH
SCHEMBL8692495 0.89 RAB9A (0.54) RAB9ASMN1; SMN2EPHX2NPC1FAAH
SCHEMBL8697628 0.87 EPHX1 (0.45) CNR2CNR1RAB9ASMN1; SMN2EPHX1
SCHEMBL8693502 0.84 ALDH1A1 (0.46) CNR2CNR1RAB9ANPC1MEN1
SCHEMBL8696385 0.84 MAPT (0.52) CNR2CNR1RAB9ANPC1FAAH
SCHEMBL8696204 0.83 FAAH (0.48) CNR2CNR1RAB9ASMN1; SMN2EPHX1
SCHEMBL8694014 0.81 ALDH1A1 (0.42) CNR2CNR1RAB9ASMN1; SMN2NPC1
SCHEMBL8693098 0.81 HTT (0.43) RAB9ASMN1; SMN2NPC1KMT2ANPSR1
SCHEMBL8698664 0.81 RAB9A (0.45) CNR2CNR1RAB9ASMN1; SMN2EPHX1

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-5849779-A Pyrazole derivatives and their pharmaceutical use JAPAN ENERGY CORPORATION (JP) 1998-12-15 US disclosed
EP-0810217-A1 Pyrazole derivatives and their pharmaceutical use as smooth muscle cell growth inhibitors JAPAN ENERGY CORPORATION (JP) 1997-12-03 EP disclosed