SCHEMBL19976992

SCHEMBL19976992

CC(NC(=O)c1cccc2[nH]ccc12)C(=O)Nc1cccc2cnccc12

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.48
LMNA P02545 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNA5 P22460 1/20 0.42

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
SCHEMBL16999331 0.83 TRPV1 (0.48) TRPV1MEN1MAPK1HTTBLM
SCHEMBL16994052 0.83 TRPV1 (0.48) TRPV1MEN1MAPK1HTTBLM
SCHEMBL19976985 0.83 TRPV1 (0.52) TRPV1LMNAHTT
SCHEMBL19976940 0.83 TRPV1 (0.55) TRPV1LMNAMEN1MAPK1HTT
SCHEMBL18272413 0.82 TRPV1 (0.42) TRPV1MAOAMAOB
SCHEMBL19977029 0.82 KDM4E (0.54) TRPV1LMNAMEN1MAPK1HTT
SCHEMBL19977127 0.82 TRPV1 (0.54) TRPV1LMNAMEN1MAPK1HTT
SCHEMBL19977084 0.80 DHPS (0.46) LMNAMEN1MAPK1HTTKMT2A
SCHEMBL19976895 0.79 MEN1 (0.63) TRPV1LMNAMEN1MAPK1HTT
SCHEMBL19976905 0.78 KMT2A (0.56) MEN1KMT2A

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
US-9919998-B2 Antibacterial agents: Nα-aroyl-N-aryl-phenylalaninamides RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-03-20 US disclosed