SCHEMBL16660714

SCHEMBL16660714

Cc1c(C(=O)Nc2ccnnc2)cnn1C1CCC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.45
NAMPT P43490 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NR3C1 P04150 4/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
LRRK2 Q5S007 5/20 0.40
IKBKE Q14164 1/20 0.38
TBK1 Q9UHD2 1/20 0.38

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
SCHEMBL16660711 0.96 TRPV4 (0.46) TRPV4NAMPTNPC1RAB9ASMN1; SMN2
SCHEMBL16660722 0.88 IKBKE (0.39) TRPV4NAMPTNPC1RAB9ASMN1; SMN2
SCHEMBL16660715 0.87 TRPV4 (0.42) TRPV4NAMPTNPC1RAB9ASMN1; SMN2
SCHEMBL16660712 0.84 LRRK2 (0.38) NAMPTNPC1RAB9ASMN1; SMN2NR3C1
SCHEMBL16660720 0.84 IKBKE (0.37) TRPV4NAMPTNPC1RAB9ASMN1; SMN2
SCHEMBL16660713 0.84 NAMPT (0.39) TRPV4NAMPTNPC1RAB9ASMN1; SMN2
SCHEMBL16660721 0.84 NAMPT (0.39) NAMPTNPC1RAB9ASMN1; SMN2NR3C1
SCHEMBL16660710 0.82 IKBKE (0.39) NAMPTNPC1RAB9ASMN1; SMN2LRRK2
SCHEMBL15472433 0.76 NAMPT (0.44) NAMPTNPC1RAB9ASMN1; SMN2NR3C1
SCHEMBL15472431 0.76 NAMPT (0.44) TRPV4NAMPTNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015055497-A1 SUBSTITUTED PESTICIDAL PYRAZOLE COMPOUNDS BASF SE (DE) 2015-04-23 WO disclosed