SCHEMBL9568080

SCHEMBL9568080

CN1CCC(OC(=O)[C@H]2CC[C@H](NC(=O)c3ccc(-c4ccc(C(=N)N)cc4)cc3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.46
SCN2A Q99250 2/20 0.46
SCN3A Q9NY46 2/20 0.46
ST14 Q9Y5Y6 11/20 0.45
F2 P00734 10/20 0.45
PRSS1 P07477 8/20 0.45
PRSS2 P07478 8/20 0.45
PRSS3 P35030 8/20 0.45
PLG P00747 4/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SMYD3 Q9H7B4 1/20 0.43
HDAC4 P56524 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
JAK1 P23458 1/20 0.42
F10 P00742 1/20 0.41
TPSAB1 Q15661 2/20 0.41

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
SCHEMBL9568078 1.00 SCN1A (0.46) SCN1ASCN2ASCN3AST14F2
SCHEMBL9568246 0.87 F2 (0.41) SCN1ASCN2ASCN3AST14F2
SCHEMBL9568245 0.87 F2 (0.41) SCN1ASCN2ASCN3AST14F2
SCHEMBL9568208 0.87 SCN1A (0.44) SCN1ASCN2ASCN3AMEN1NPC1
SCHEMBL9568210 0.87 SCN1A (0.44) SCN1ASCN2ASCN3AMEN1NPC1
Hydrochloric Acid SCHEMBL9568149 0.84 MEN1 (0.45) ST14F2PRSS1PRSS2PRSS3
SCHEMBL9185970 0.83 MEN1 (0.54) ST14F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL8410586 0.82 MEN1 (0.52) ST14F2PRSS1PRSS2PRSS3
SCHEMBL9568143 0.81 PRSS1 (0.53) ST14F2PRSS1PRSS2PRSS3
SCHEMBL9568138 0.81 PRSS1 (0.53) ST14F2PRSS1PRSS2PRSS3

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-0574808-A1 Amidine-biphenyl derivatives, process for their production & medical preparation containing them Dr. Karl Thomae GmbH (DE) 1993-12-22 EP disclosed