SCHEMBL7972684

SCHEMBL7972684

CN(C)C(=O)C(C)(C)Oc1cccc2c1C/C(=C/CCN1CCC(O)(c3ccc(Cl)cc3)CC1)c1cccnc1O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.41
OPRM1 P35372 4/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
ADRB2 P07550 2/20 0.41
ADRA2A P08913 2/20 0.41
DRD4 P21917 2/20 0.41
SLC6A4 P31645 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
HTR2B P41595 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
CES2 O00748 1/20 0.41
SLC22A1 O15245 1/20 0.41
USP2 O75604 1/20 0.41
ABCB11 O95342 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL7972689 1.00 DRD2 (0.41) DRD2OPRM1MEN1LMNAADRB2
SCHEMBL651919 0.93 DRD2 (0.39) DRD2OPRM1MEN1LMNAADRB2
SCHEMBL651917 0.93 DRD2 (0.39) DRD2OPRM1MEN1LMNAADRB2
SCHEMBL652740 0.90 CCR1 (0.40) DRD2OPRM1CCR1OPRL1
SCHEMBL652742 0.90 CCR1 (0.40) DRD2OPRM1CCR1OPRL1
SCHEMBL655191 0.89 DRD2 (0.38) DRD2OPRM1MEN1LMNAADRB2
SCHEMBL655189 0.89 DRD2 (0.38) DRD2OPRM1MEN1LMNAADRB2
SCHEMBL7976315 0.89 CCR1 (0.38) DRD2SLC6A4HTR2BHTR1ADRD1
SCHEMBL7976310 0.89 CCR1 (0.38) DRD2SLC6A4HTR2BHTR1ADRD1
SCHEMBL654334 0.87 DRD2 (0.38) DRD2OPRM1MEN1LMNAADRB2

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
US-6329385-B1 ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS, VIRAL DISEASES AND GASTROINTESTINAL DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2001-12-11 US disclosed