SCHEMBL369068

SCHEMBL369068

Oc1cc(Cl)cnc1OC1CCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.40
TYK2 P29597 2/20 0.40
MAPK1 P28482 1/20 0.38
IP6K1 Q92551 8/20 0.36
SCN9A Q15858 2/20 0.36
SCN5A Q14524 1/20 0.36
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
APEX1 P27695 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACACB O00763 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL31276647 0.79 CNR1 (0.38) CNR1TYK2IP6K1SCN9ASCN5A
SCHEMBL20688931 0.79 TYK2 (0.42) CNR1TYK2IP6K1SCN9ASCN5A
SCHEMBL365763 0.78 SCN9A (0.43) CNR1MAPK1IP6K1SCN9ASCN5A
SCHEMBL20688112 0.76 TYK2 (0.50) CNR1TYK2IP6K1SCN9ASCN5A
SCHEMBL11463519 0.74 IP6K1 (0.46) CNR1TYK2IP6K1SCN9ASCN5A
SCHEMBL21238483 0.73 TYK2 (0.46) CNR1TYK2IP6K1SCN9ASCN5A
SCHEMBL20697016 0.73 TYK2 (0.44) CNR1TYK2IP6K1SCN9ASCN5A
SCHEMBL20697374 0.73 CNR1 (0.37) CNR1TYK2MAPK1IP6K1TSHR
SCHEMBL11471405 0.73 CNR1 (0.47) CNR1TYK2IP6K1SCN9A
SCHEMBL32689806 0.72 PLAU (0.49) CNR1TYK2IP6K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593432-A1 N-SULFONYLBENZAMIDE DERIVATIVES USEFUL AS VOLTAGE GATED SODIUM CHANNEL INHIBITORS Pfizer Limited (GB) 2013-05-22 EP disclosed
WO-2012007861-A1 N-SULFONYLBENZAMIDE DERIVATIVES USEFUL AS VOLTAGE GATED SODIUM CHANNEL INHIBITORS PFIZER LIMITED (GB) 2012-01-19 WO disclosed