SCHEMBL21311686

SCHEMBL21311686

CN(C)CC(=O)NC1CCC[C@H](c2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
CCR2 P41597 3/20 0.43
SMYD3 Q9H7B4 1/20 0.43
EPHX2 P34913 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TRPV1 Q8NER1 4/20 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
SCHEMBL21311632 1.00 SCN9A (0.46) SCN9AGAALMNASMN1; SMN2NPSR1
SCHEMBL21312031 0.86 SMYD3 (0.50) HTTPOLBCCR2SMYD3EPHX2
SCHEMBL21311687 0.81 POLB (0.46) SCN9AMEN1KMT2APOLBRAB9A
SCHEMBL21312032 0.81 POLB (0.46) SCN9AMEN1KMT2APOLBRAB9A
SCHEMBL21306731 0.81 SCN9A (0.52) SCN9ACCR2SMYD3ALDH1A1
SCHEMBL21294826 0.81 SCN9A (0.55) SCN9ACCR2ALDH1A1
Hydrochloric Acid SCHEMBL21294795 0.81 SCN9A (0.51) SCN9ACCR2SMYD3ALDH1A1
SCHEMBL28492456 0.78 SCN9A (0.49) SCN9ACCR2ALDH1A1
SCHEMBL20096133 0.78 HTR2C (0.51) LMNAMEN1KMT2APOLBRAB9A
SCHEMBL21311690 0.78 HTR2C (0.51) LMNAMEN1KMT2APOLBRAB9A

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-2019165290-A1 PYRIDINE-SULFONAMIDE COMPOUNDS AND THEIR USE AGAINST PAIN AND RELATED CONDITIONS GENENTECH, INC. (US) 2019-08-29 WO disclosed