SCHEMBL9630200

SCHEMBL9630200

CC1(Cc2ccc(C3(O)CCNCC3)cc2)OCCO1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.49
SLC6A2 P23975 6/20 0.35
SLC6A4 P31645 6/20 0.35
SIGMAR1 Q99720 1/20 0.34
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 0.32
OPRL1 P41146 2/20 0.32
MAPKAPK2 P49137 2/20 0.32
CYP26A1 O43174 1/20 0.31
CYP26B1 Q9NR63 1/20 0.31
KDM1A O60341 1/20 0.31
MAOB P27338 1/20 0.31
RCOR1 Q9UKL0 1/20 0.31
SLC5A1 P13866 1/20 0.30
SLC5A2 P31639 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
SCHEMBL11521919 0.76 DRD2 (0.59) DRD2SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL9631745 0.75 OPRL1 (0.64) SIGMAR1OPRL1
SCHEMBL27977483 0.73 DRD2 (0.59) DRD2SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL11014683 0.72 NOS3 (0.37)
SCHEMBL8759961 0.72 ESR1 (0.42) SLC6A2SLC6A4SIGMAR1
SCHEMBL5462404 0.72 DRD2 (0.54) DRD2SLC6A2SLC6A4SIGMAR1OPRM1
SCHEMBL5236809 0.70 ADRB1 (0.44) SIGMAR1
SCHEMBL13898233 0.70 DRD2 (0.56) DRD2SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL613058 0.70 DRD2 (0.66) DRD2SLC6A2SLC6A4SIGMAR1OPRM1
SCHEMBL16127955 0.70 IDO1 (0.38)

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-5153210-A Hypoglycemic agent, animal growth regulator; veterinary medicine BEECHAM GROUP P.L.C. (GB) 1992-10-06 US disclosed
EP-0236624-A2 Substituted phenyl ethanol amines, processes for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1987-09-16 EP disclosed