SCHEMBL5222937

SCHEMBL5222937

CCCCc1oc2ccc(C(=O)N(CC)CC)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.70
PGR P06401 1/20 0.70
CHRM2 P08172 1/20 0.70
HTR1A P08908 1/20 0.70
ADRA2A P08913 1/20 0.70
ADORA3 P0DMS8 1/20 0.70
CHRM1 P11229 1/20 0.70
DRD1 P21728 1/20 0.70
TBXA2R P21731 1/20 0.70
SLC6A2 P23975 1/20 0.70
PDE4A P27815 1/20 0.70
SLC6A4 P31645 1/20 0.70
ADRA1A P35348 1/20 0.70
OPRM1 P35372 1/20 0.70
DRD3 P35462 1/20 0.70
SLC6A3 Q01959 1/20 0.70
KCNH2 Q12809 1/20 0.70
HRH3 Q9Y5N1 1/20 0.70
ABCB11 O95342 1/20 0.69
KCNA5 P22460 1/20 0.69

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
Oxalic Acid SCHEMBL5674497 0.97 ESR1 (0.67) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL5225986 0.90 ESR1 (0.73) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL5222962 0.89 ESR1 (0.72) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL5671711 0.88 ESR1 (0.73) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL2564069 0.88 ESR1 (0.73) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL14552014 0.88 ESR1 (0.73) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL5225220 0.87 ESR1 (0.72) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL5223270 0.87 ESR1 (0.72) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL31505225 0.87 ESR1 (0.72) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL2564123 0.87 ESR1 (0.72) ESR1PGRCHRM2HTR1AADRA2A

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-1315710-B1 AMINOALKOXYBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2007-04-25 EP disclosed