SCHEMBL9727205

SCHEMBL9727205

c1ccc2c(c1)CCC(N1CCC1)C2

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 7/20 0.68
OPRL1 P41146 5/20 0.56
OPRM1 P35372 3/20 0.56
OPRK1 P41145 3/20 0.56
HTR1A P08908 1/20 0.54
HTR7 P34969 1/20 0.54
TSHR P16473 1/20 0.54
OPRD1 P41143 1/20 0.50
DRD2 P14416 1/20 0.49
HTR2A P28223 1/20 0.49
LMNA P02545 1/20 0.49
CHRNA7 P36544 1/20 0.47

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
SCHEMBL9947176 0.96 GRIN2B (0.68) GRIN2BOPRL1OPRM1OPRK1HTR1A
SCHEMBL8673995 0.96 GRIN2B (0.68) GRIN2BOPRL1OPRM1OPRK1HTR1A
SCHEMBL9506641 0.94 GRIN2B (0.66) GRIN2BOPRL1OPRM1OPRK1HTR1A
SCHEMBL7436031 0.94 GRIN2B (0.66) GRIN2BOPRL1OPRM1OPRK1HTR1A
SCHEMBL9947164 0.94 GRIN2B (0.66) GRIN2BOPRL1OPRM1OPRK1HTR1A
SCHEMBL9018525 0.94 GRIN2B (0.66) GRIN2BOPRL1OPRM1OPRK1HTR1A
Hydrochloric Acid SCHEMBL7938970 0.93 GRIN2B (0.64) GRIN2BOPRL1OPRM1OPRK1HTR1A
SCHEMBL4486847 0.87 CHRNA7 (0.59) GRIN2BOPRL1OPRM1OPRK1HTR1A
SCHEMBL12670642 0.86 GRIN2B (0.65) GRIN2BOPRL1OPRM1OPRK1HTR1A
SCHEMBL9345993 0.85 GRIN2B (0.56) GRIN2BOPRL1OPRM1OPRK1HTR1A

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-5164385-A AZETIDINE DERIVATIVES AND HYPOTENSIVE COMPOSITIONS THEREOF JOHN WYETH & BROTHER, LTD. (GB) 1992-11-17 US claimed
US-5164385-A AZETIDINE DERIVATIVES AND HYPOTENSIVE COMPOSITIONS THEREOF JOHN WYETH & BROTHER, LTD. (GB) 1992-11-17 US disclosed