SCHEMBL9879783

SCHEMBL9879783

C=CCN1CCN(C(C=C)OC(C=C)N2CCN(CC=C)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 14/20 0.41
TSHR P16473 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL290880 0.75
SCHEMBL327601 0.75 OPRD1 (0.41) OPRD1OPRK1ALDH1A1
SCHEMBL3970107 0.75 OPRD1 (0.41) OPRD1OPRK1ALDH1A1
SCHEMBL6692977 0.75 OPRD1 (0.41) OPRD1OPRK1ALDH1A1
SCHEMBL861770 0.73 OPRD1 (0.41) OPRD1OPRM1OPRK1MEN1KMT2A
SCHEMBL11076706 0.73 OPRD1 (0.41) OPRD1TSHROPRM1OPRK1MEN1
SCHEMBL11330292 0.73 FDPS (0.31)
SCHEMBL11798885 0.73 FDPS (0.31)
SCHEMBL15132381 0.72 OPRD1 (0.44) OPRD1TSHROPRM1OPRK1
Bromide SCHEMBL7969410 0.72 OPRD1 (0.40) OPRD1OPRK1ALDH1A1

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-5055581-A Dehydrochlorination reaction between n-alkyl substituted piperazine and bis(-chloroalkyl) ether; useful for urethane forming reaction SAN-APRO LIMITED (JP) 1991-10-08 US claimed