SCHEMBL5583814

SCHEMBL5583814

Cc1ccccc1-c1cc(C(C)C)cc2c1O[CH]C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
CREBBP Q92793 1/20 0.33
KCNA3 P22001 1/20 0.31
PLA2G7 Q13093 2/20 0.31
GRIA1 P42261 1/20 0.31
CACNG8 Q8WXS5 1/20 0.31
HSD17B10 Q99714 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
LDHA P00338 1/20 0.30
TRPA1 O75762 1/20 0.30
PTGS1 P23219 1/20 0.30
CACNA1C Q13936 1/20 0.30
NPC1 O15118 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5583527 0.77 NPC1 (0.34) LMNACREBBPKCNA3GRIA1CACNG8
SCHEMBL5595895 0.77 MAPT (0.38) CYP1A2CYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL4712286 0.76 TACR1 (0.38)
SCHEMBL4595198 0.75 LMNA (0.39) LMNACREBBPALDH1A1
SCHEMBL4595197 0.74 LMNA (0.38) LMNAALDH1A1
SCHEMBL4224837 0.72 PRKAB2 (0.43) LMNAALDH1A1
SCHEMBL4608722 0.69 HTR2A (0.32)
SCHEMBL2581740 0.68 LMNA (0.67) LMNAPLA2G7CYP1A2CYP2D6ALOX15
SCHEMBL27723655 0.68 PLA2G7 (0.37) KCNA3PLA2G7PTGS1NPC1RAB9A
SCHEMBL27723765 0.68 HTR1A (0.33) NPC1CASP3RAB9ASMN1; SMN2SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007509174-A 2007-04-12 JP claimed
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP claimed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 WO claimed