SCHEMBL11705261

SCHEMBL11705261

COc1ccc2c(c1)[C@H]1CCCC(C2)[C@H]1N

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.47
NOS1 P29475 2/20 0.47
NOS2 P35228 2/20 0.47
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
OPRM1 P35372 2/20 0.45
OPRD1 P41143 1/20 0.45
SIGMAR1 Q99720 3/20 0.43
CHRNA7 P36544 1/20 0.42
ACHE P22303 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
SCHEMBL22304220 0.81 GRIN2D (0.38) OPRM1SIGMAR1ACHE
SCHEMBL22304428 0.77 SIGMAR1 (0.41) NOS3NOS1NOS2OPRM1OPRD1
SCHEMBL11782325 0.77 OPRM1 (0.34) OPRM1
SCHEMBL24081406 0.76 HRH3 (0.47)
SCHEMBL11053451 0.75 DRD2 (0.61) DRD2DRD3ACHE
SCHEMBL19791856 0.75 SIGMAR1 (0.63) DRD2DRD3SIGMAR1CHRNA7
Hydrochloric Acid SCHEMBL11222319 0.74 DRD2 (0.59) DRD2DRD3ACHE
SCHEMBL21424561 0.74 OPRM1 (0.49) DRD2DRD3OPRM1OPRD1SIGMAR1
SCHEMBL22477102 0.74 OPRM1 (0.49) DRD2DRD3OPRM1OPRD1SIGMAR1
SCHEMBL24081376 0.74 OPRM1 (0.49) DRD2DRD3OPRM1OPRD1SIGMAR1

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-4049701-A ANALGESICS, ANTIINFLAMMATORY AMERICAN HOME PRODUCTS CORPORATION (US) 1977-09-20 US disclosed