SCHEMBL4622015

SCHEMBL4622015

Cc1ccccc1-c1cccc2c[c]oc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
ADORA1 P30542 2/20 0.37
ADORA2A P29274 1/20 0.37
ALDH1A1 P00352 4/20 0.36
CYP2A6 P11509 1/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
DCUN1D1 Q96GG9 2/20 0.35
HPGD P15428 3/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ATM Q13315 1/20 0.34
CYP1A2 P05177 2/20 0.33

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
SCHEMBL3378262 0.83 MAOB (0.39) ADORA3MAOAMAOBADORA1ADORA2A
SCHEMBL21296179 0.78 ADORA3 (0.40) ADORA3MAOBADORA1ADORA2AALDH1A1
SCHEMBL21295627 0.71 KDM4E (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL21295980 0.70 NPC1 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL30354037 0.68 ACHE (0.64) ALDH1A1CYP2A6NPC1RAB9ASMN1; SMN2
SCHEMBL197690 0.68 ACHE (0.64) ALDH1A1CYP2A6NPC1RAB9ASMN1; SMN2
SCHEMBL30169568 0.68 ACHE (0.64) ALDH1A1CYP2A6NPC1RAB9ASMN1; SMN2
SCHEMBL598761 0.68 TSHR (0.53) ALDH1A1CYP2A6NPC1RAB9ASMN1; SMN2
SCHEMBL12990204 0.68 ALDH1A1 (0.67) ALDH1A1CYP2A6NPC1RAB9ASMN1; SMN2
SCHEMBL5310084 0.67 NPC1 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD

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
EP-1871358-A1 BENZOFURANYL ALKANAMINE DERIVATIVES AND USES THEREOF AS 5-HT2C AGONISTS Wyeth (US) 2008-01-02 EP disclosed
WO-2006116151-A1 BENZOFURANYL ALKANAMINE DERIVATIVES AND USES THEREOF AS 5-HT2C AGONISTS WYETH (US) 2006-11-02 WO disclosed