SCHEMBL24243286

SCHEMBL24243286

C=CCN1CCC(C=C)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.38
OPRM1 P35372 1/20 0.38
SIGMAR1 Q99720 1/20 0.35
OPRK1 P41145 5/20 0.33
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
MAPT P10636 2/20 0.33
ADRA1A P35348 2/20 0.33
LMNA P02545 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAD52 P43351 1/20 0.33
ADRA1D P25100 1/20 0.32
ADRA1B P35368 1/20 0.32

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
SCHEMBL8159164 0.86 SIGMAR1 (0.40) OPRD1OPRM1SIGMAR1OPRK1DRD2
SCHEMBL2175514 0.84 OPRM1 (0.38) OPRD1OPRM1SIGMAR1OPRK1ADRA2A
SCHEMBL4959156 0.80 SIGMAR1 (0.35) OPRD1OPRM1SIGMAR1OPRK1ADRA2A
SCHEMBL4502992 0.80 SIGMAR1 (0.35) OPRD1OPRM1SIGMAR1OPRK1ADRA2A
SCHEMBL10641032 0.78 ADRA2A (0.40) OPRD1OPRM1SIGMAR1OPRK1ADRA2A
SCHEMBL82611 0.78 CARM1 (0.48) OPRD1OPRM1SIGMAR1HRH3KDM4E
SCHEMBL10828056 0.78 SIGMAR1 (0.34) OPRD1OPRM1SIGMAR1OPRK1ADRA2A
SCHEMBL24491782 0.78 SIGMAR1 (0.34) OPRD1OPRM1SIGMAR1OPRK1ADRA2A
SCHEMBL3342321 0.78 SIGMAR1 (0.34) OPRD1OPRM1SIGMAR1OPRK1ADRA2A
SCHEMBL4502994 0.78 KCNA3 (0.35) OPRD1OPRM1SIGMAR1HRH3KDM4E

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
EP-3950691-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS KINASE INHIBITOR Daewoong Pharmaceutical Co., Ltd. (KR) 2022-02-09 EP disclosed