SCHEMBL5583527

SCHEMBL5583527

CCc1cc2c(c(-c3ccccc3C)c1)O[CH]C2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CREBBP Q92793 1/20 0.31
KCNA3 P22001 1/20 0.31
GRIA1 P42261 1/20 0.31
CACNG8 Q8WXS5 1/20 0.31
HTR7 P34969 1/20 0.31
CASP3 P42574 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
HPGD P15428 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
SCHEMBL5583500 0.84 CSNK2A2 (0.34) NPC1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL27723786 0.82 CSNK2A2 (0.38) NPC1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL5583814 0.77 LMNA (0.41) NPC1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL5595895 0.77 MAPT (0.38) NPC1ALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL4712286 0.76 TACR1 (0.38)
SCHEMBL4596816 0.75 DHFR (0.40) NPC1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL4596811 0.74 HTR7 (0.32) NPC1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL4228664 0.73 PRKAB2 (0.44) NPC1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL4608722 0.69 HTR2A (0.32)
SCHEMBL27723765 0.68 HTR1A (0.33) NPC1ALDH1A1RAB9ASMN1; SMN2MAPT

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