SCHEMBL11076706

SCHEMBL11076706

C=CCN1CCN(C(N)C=C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 12/20 0.41
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RAD52 P43351 1/20 0.36
TSHR P16473 2/20 0.34
OPRK1 P41145 2/20 0.33
LMNA P02545 1/20 0.33
ADRA2A P08913 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
HTR2A P28223 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
OPRM1 P35372 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL8078329 0.82
SCHEMBL5140693 0.82
SCHEMBL3970107 0.76 OPRD1 (0.41) OPRD1MAPTALDH1A1KDM4ERAD52
SCHEMBL290880 0.76
SCHEMBL327601 0.76 OPRD1 (0.41) OPRD1MAPTALDH1A1KDM4ERAD52
SCHEMBL6692977 0.76 OPRD1 (0.41) OPRD1MAPTALDH1A1KDM4ERAD52
SCHEMBL861770 0.75 OPRD1 (0.41) OPRD1OPRK1OPRM1MEN1KMT2A
SCHEMBL15132381 0.74 OPRD1 (0.44) OPRD1TSHROPRK1OPRM1
Bromide SCHEMBL7969410 0.74 OPRD1 (0.40) OPRD1MAPTALDH1A1KDM4ERAD52
SCHEMBL9879783 0.73 OPRD1 (0.41) OPRD1ALDH1A1TSHROPRK1OPRM1

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-4446281-A Modified cis-1,4-polyisoprene rubber, a process for manufacturing the same, and a composition containing the same KURARAY CO., LTD. (JP) 1984-05-01 US disclosed
EP-0066241-A2 Modified cis-1,4-polyisoprene rubber, a process for its manufacture, a vulcanized modified cis-1,4-polyisoprene rubber composition and the use of the modified cis-1,4-polyisoprene rubber for preparing vulcanized shaped articles KURARAY CO., LTD. (JP) 1982-12-08 EP disclosed