SCHEMBL484166

SCHEMBL484166

CC(C)(C)[C@]1(c2ccc(OCc3ccccc3F)cc2)CC[C@]2(CCCNC2=O)N1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.40
MMP1 P03956 2/20 0.38
ADAM17 P78536 1/20 0.38
PARP15 Q460N3 1/20 0.38
PARP14 Q460N5 1/20 0.38
PARP10 Q53GL7 1/20 0.38
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
SCN9A Q15858 2/20 0.36
KCNH2 Q12809 6/20 0.36
SCN3A Q9NY46 8/20 0.36
SCN1A P35498 1/20 0.36
SCN4A P35499 1/20 0.36
SCN7A Q01118 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN2A Q99250 1/20 0.36

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
SCHEMBL483703 1.00 MAOB (0.40) MAOBMMP1ADAM17PARP15PARP14
SCHEMBL310837 0.95 MAOB (0.41) MAOBMMP1ADAM17PARP15PARP14
SCHEMBL483563 0.95 MAOB (0.41) MAOBMMP1ADAM17PARP15PARP14
SCHEMBL483226 0.91 HPD (0.40) MAOBMMP1ADAM17PARP15PARP10
SCHEMBL483539 0.91 HPD (0.40) MAOBMMP1ADAM17PARP15PARP10
SCHEMBL483534 0.86 HPD (0.39) MAOBPARP15PARP10RAB9AKCNH2
SCHEMBL310843 0.83 MAOB (0.42) MAOBMMP1ADAM17PARP15PARP14
SCHEMBL483669 0.82 FFAR1 (0.42) MAOBMMP1ADAM17KCNH2
SCHEMBL483691 0.81 GRIN1 (0.35)
SCHEMBL483746 0.76 HPD (0.39) MAOBMMP1ADAM17PARP15PARP10

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
US-8153623-B2 Compounds Convergence Pharmaceuticals Limited (GB) 2012-04-10 US disclosed
EP-1934176-B1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LTD (GB) 2012-02-01 EP disclosed