SCHEMBL9879747

SCHEMBL9879747

C=CC(OC(C=C)N1CCNCC1)N1CCNCC1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP19A1 P11511 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
SCHEMBL11330292 0.78 FDPS (0.31)
SCHEMBL11798885 0.78 FDPS (0.31)
SCHEMBL9625891 0.78 MEN1 (0.51) MEN1KMT2ACYP2D6
SCHEMBL175912 0.75 OPRD1 (0.34)
SCHEMBL9286436 0.73 MEN1 (0.46) MEN1KMT2ACYP2D6
SCHEMBL8014862 0.73 ALDH1A1 (0.31) KMT2A
SCHEMBL10652779 0.72 GNAI3 (0.35)
SCHEMBL11220401 0.70 MEN1 (0.33) MEN1KMT2ACYP2D6CYP19A1
SCHEMBL5694538 0.70 CYP2D6 (0.35) MEN1KMT2ACYP2D6CYP19A1
SCHEMBL861270 0.70 MEN1 (0.33) MEN1KMT2ACYP2D6CYP19A1

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-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 disclosed
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 disclosed