SCHEMBL9528041

SCHEMBL9528041

CSc1ccc(C2(O)CCNCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.59
DRD3 P35462 6/20 0.44
DRD4 P21917 4/20 0.44
SIGMAR1 Q99720 1/20 0.40
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CCR1 P32246 1/20 0.38
NISCH Q9Y2I1 1/20 0.35
OPRM1 P35372 3/20 0.35
OPRD1 P41143 1/20 0.35
PTGS2 P35354 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33

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 SCHEMBL9528130 0.98 DRD2 (0.58) DRD2DRD3DRD4SIGMAR1SLC6A4
SCHEMBL2275944 0.80 DRD2 (0.45) DRD2DRD3DRD4SIGMAR1OPRM1
SCHEMBL613058 0.79 DRD2 (0.66) DRD2SIGMAR1SLC6A4SLC6A3OPRM1
SCHEMBL21964251 0.78 DRD2 (0.41) DRD2DRD3DRD4SLC6A4SLC6A3
SCHEMBL16553869 0.77 SLC6A4 (0.49) DRD2DRD3DRD4SLC6A4SLC6A3
SCHEMBL23605548 0.77 DRD2 (0.37) DRD2DRD3DRD4CCR1
SCHEMBL652586 0.76 DRD2 (0.68) DRD2DRD3DRD4SIGMAR1OPRM1
SCHEMBL4702541 0.76 DRD2 (0.45) DRD2OPRM1OPRK1OPRL1
SCHEMBL23577531 0.76 GABRD (0.43)
SCHEMBL4702871 0.75 DRD2 (0.47) DRD2SIGMAR1OPRM1OPRD1OPRK1

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-0556342-A1 NEW 1-AZABICYCLOALKANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME GYOGYSZERKUTATO INTEZET K.V. (HU) 1993-08-25 EP disclosed
WO-1992007854-A1 NEW 1-AZABICYCLOALKANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME GYÓGYSZERKUTATÓ INTÉZET KV. (HU) 1992-05-14 WO disclosed