SCHEMBL19446554

SCHEMBL19446554

C=C(NC1CCc2c(C)cccc21)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.44
TAS1R3 Q7RTX0 5/20 0.43
TAS1R1 Q7RTX1 5/20 0.43
TAS1R2 Q8TE23 4/20 0.43
PDE10A Q9Y233 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
OPRL1 P41146 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAOB P27338 5/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
MAOA P21397 3/20 0.37
IDO1 P14902 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4711698 0.77 TRPV1 (0.53) TRPV1TAS1R3TAS1R1TAS1R2PDE10A
SCHEMBL20662806 0.76 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2LMNAMEN1
SCHEMBL16709695 0.75 TRPV1 (0.52) TRPV1TAS1R3TAS1R1TAS1R2PDE10A
SCHEMBL14040509 0.75 PDE10A (0.46) TRPV1TAS1R3TAS1R1TAS1R2PDE10A
SCHEMBL14304242 0.74 PDPK1 (0.55) TRPV1PDE10AOPRL1KCNH2ADRA2A
SCHEMBL22813952 0.70 TRPV1 (0.47) TRPV1TAS1R3TAS1R1TAS1R2PDE10A
SCHEMBL12669383 0.70 TRPV1 (0.47) TRPV1TAS1R3TAS1R1TAS1R2PDE10A
SCHEMBL31231476 0.70 SLC6A2 (0.44) TRPV1PDE10AOPRL1KCNH2MAOB
SCHEMBL1999695 0.69 KMT2A (0.46) TRPV1TAS1R3TAS1R1TAS1R2PDE10A
SCHEMBL22032577 0.69 CCR2 (0.40) TRPV1TAS1R3TAS1R1TAS1R2LMNA

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
EP-2995611-B1 ALPHA-SUBSTITUTED GLYCINEAMIDE DERIVATIVE KISSEI PHARMACEUTICAL (JP) 2017-10-11 EP disclosed