SCHEMBL9765922

SCHEMBL9765922

CC(C#N)NC(C)N1CCNCC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.33
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL9317068 0.81 SIGMAR1 (0.37) OPRD1
SCHEMBL1262977 0.78 POLB (0.33) POLBSMN1; SMN2
SCHEMBL28628160 0.77 CHRM5 (0.37)
SCHEMBL28918485 0.74 CHRM5 (0.35) OPRD1SMN1; SMN2
SCHEMBL1263669 0.73 POLB (0.38) OPRD1POLBSMN1; SMN2
SCHEMBL9679875 0.73 OPRD1 (0.37) OPRD1POLBSMN1; SMN2
SCHEMBL6625529 0.73 OPRD1 (0.37) OPRD1POLBSMN1; SMN2
SCHEMBL3387239 0.72 CHRM5 (0.32)
SCHEMBL930621 0.70 MEN1 (0.34)
SCHEMBL9540412 0.70 MEN1 (0.34)

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-4990672-A Cyanoethylation polyamine; hydrogenation; reductive alkylation AIR PRODUCTS AND CHEMICALS, INC. (US) 1991-02-05 US disclosed