SCHEMBL7259989

SCHEMBL7259989

O=C(Cc1cccc2occc12)NC1CCCNC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EED O75530 2/20 0.60
OPRM1 P35372 4/20 0.48
OPRK1 P41145 4/20 0.48
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
DRD3 P35462 1/20 0.41
BRD4 O60885 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA4 P43681 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
Hydrochloric Acid SCHEMBL7243486 0.99 EED (0.59) EEDOPRM1OPRK1DRD2HTR2A
SCHEMBL7242436 0.86 CHRM1 (0.51) EEDOPRM1OPRK1DRD2HTR2A
Hydrochloric Acid SCHEMBL7250520 0.85 CHRM1 (0.50) EEDOPRM1OPRK1DRD2HTR2A
SCHEMBL270577 0.81 EED (0.50) EEDCHRNA1CHRNB2CHRNB4CHRNA4
SCHEMBL269455 0.81 EED (0.50) EEDCHRNA1CHRNB2CHRNB4CHRNA4
SCHEMBL7259995 0.81 CHRNA1 (0.44) EEDCHRNA1CHRNB2CHRNB4CHRNA4
Hydrochloric Acid SCHEMBL7243492 0.80 CHRNA1 (0.43) EEDCHRNA1CHRNB2CHRNB4CHRNA4
SCHEMBL7243095 0.73 SIGMAR1 (0.71) SIGMAR1
SCHEMBL7243205 0.72 USP30 (0.52) EEDOPRM1OPRK1DRD2HTR2A
SCHEMBL7248512 0.71 CHRNB2 (0.48) OPRM1OPRK1MTNR1AMTNR1BCHRNB2

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-1311502-A1 BICYCLIC HETEROAROMATIC DERIVATIVES FOR THE TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS Celltech R&D Limited (GB) 2003-05-21 EP disclosed
WO-2002016353-A1 BICYCLIC HETEROAROMATIC DERIVATIVES FOR THE TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CELLTECH R & D LIMITED (GB) 2002-02-28 WO disclosed