SCHEMBL16660715

SCHEMBL16660715

Cc1c(C(=O)Nc2ccnnc2)cnn1C1CCC(C)(F)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.42
NAMPT P43490 1/20 0.38
LRRK2 Q5S007 10/20 0.38
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
IKBKE Q14164 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL16660713 0.87 NAMPT (0.39) TRPV4NAMPTLRRK2NPC1RAB9A
SCHEMBL16660714 0.87 TRPV4 (0.45) TRPV4NAMPTLRRK2NPC1RAB9A
SCHEMBL16660711 0.85 TRPV4 (0.46) TRPV4NAMPTLRRK2NPC1RAB9A
SCHEMBL16660722 0.82 IKBKE (0.39) TRPV4NAMPTLRRK2NPC1RAB9A
SCHEMBL16660712 0.81 LRRK2 (0.38) NAMPTLRRK2NPC1RAB9ASMN1; SMN2
SCHEMBL16660720 0.78 IKBKE (0.37) TRPV4NAMPTLRRK2NPC1RAB9A
SCHEMBL16660710 0.77 IKBKE (0.39) NAMPTLRRK2NPC1RAB9ASMN1; SMN2
SCHEMBL16660721 0.76 NAMPT (0.39) NAMPTLRRK2NPC1RAB9ASMN1; SMN2
SCHEMBL23920325 0.73 TRPV4 (0.37) TRPV4
SCHEMBL16660726 0.72 TRPV4 (0.40) TRPV4NPC1RAB9A

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