SCHEMBL9528489

SCHEMBL9528489

OC1(c2cccs2)CCN(CCC2OCCO2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.50
OPRL1 P41146 4/20 0.47
OPRM1 P35372 3/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
SIGMAR1 Q99720 3/20 0.44
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.35
PRCP P42785 1/20 0.35
DRD2 P14416 3/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NOS2 P35228 1/20 0.34

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
SCHEMBL9529336 0.78 OPRL1 (0.57) CCR1OPRL1OPRM1SIGMAR1KMT2A
SCHEMBL31284831 0.77 CCR1 (0.53) CCR1OPRL1OPRM1OPRD1OPRK1
SCHEMBL9844017 0.73 SIGMAR1 (0.65) CCR1OPRL1OPRM1OPRD1OPRK1
SCHEMBL9533670 0.73 DRD2 (0.60) CCR1OPRL1OPRM1DRD2
SCHEMBL8741960 0.73 OPRL1 (0.55) OPRL1OPRM1SIGMAR1KMT2AMEN1
SCHEMBL9529535 0.73 DRD2 (0.60) OPRM1OPRK1SIGMAR1CHRM1CHRM3
SCHEMBL31283836 0.72 OPRL1 (0.51) CCR1OPRL1OPRM1OPRD1OPRK1
SCHEMBL9529302 0.71 SLC6A1 (0.61) OPRL1OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL1308581 0.71
SCHEMBL7964051 0.70 CCR1 (0.52) CCR1OPRL1OPRM1OPRD1OPRK1

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