SCHEMBL903890

SCHEMBL903890

CCc1cnc(N2C3CCC2CC(Oc2ccc(CN4CCN(S(C)(=O)=O)CC4)cc2Cl)C3)nc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 14/20 0.40
SCN1A P35498 13/20 0.40
UTS2R Q9UKP6 3/20 0.39
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL904096 0.87 NPC1 (0.40) SCN8ASCN1AUTS2RSMN1; SMN2ALDH1A1
SCHEMBL1008624 0.87 GPR119 (0.47) SCN8ASCN1AUTS2R
SCHEMBL1006626 0.80 GPR119 (0.50) SCN8ASCN1A
SCHEMBL1003873 0.78 SCN8A (0.44) SCN8ASCN1A
SCHEMBL904086 0.78 NPC1 (0.41) SMN1; SMN2ALDH1A1
SCHEMBL1006128 0.77 GPR119 (0.47) SCN8ASCN1A
SCHEMBL904081 0.77 KDM4E (0.42) UTS2RALDH1A1
SCHEMBL1005438 0.77 SCN8A (0.47) SCN8ASCN1A
SCHEMBL1006057 0.77 SCN1A (0.43) SCN8ASCN1AUTS2R
SCHEMBL1005839 0.77 GPR119 (0.44) SCN8ASCN1AUTS2R

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-2012041158-A1 TRICYCLIC COMPOUND, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 上海恒瑞医药有限公司 (CN) 2012-04-05 WO disclosed