SCHEMBL8029418

SCHEMBL8029418

NC(=O)N1CCNCC1.[LiH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA9 Q16790 1/20 0.52
CHKA P35790 1/20 0.50
CHRNB2 P17787 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
CHRNB3 Q05901 1/20 0.48
CHRNA6 Q15825 1/20 0.48
SIGMAR1 Q99720 1/20 0.42
HSD11B1 P28845 1/20 0.41
POLB P06746 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
EPHX2 P34913 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
HPGD P15428 1/20 0.35
HSP90AA1 P07900 1/20 0.35
TPSAB1 Q15661 1/20 0.34

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
SCHEMBL242268 0.97
SCHEMBL28706408 0.95 CA2 (0.52) CA2CA12CA1CA9CHKA
Piperazine SCHEMBL28195185 0.95 CA2 (0.52) CA2CA12CA1CA9CHKA
Hydrochloric Acid SCHEMBL27640046 0.95 CA2 (0.52) CA2CA12CA1CA9CHKA
SCHEMBL28848380 0.95 CA2 (0.52) CA2CA12CA1CA9CHKA
Hydrochloric Acid SCHEMBL956960 0.95 CA2 (0.52) CA2CA12CA1CA9CHKA
Water SCHEMBL15152290 0.95 CA2 (0.52) CA2CA12CA1CA9CHKA
SCHEMBL21065355 0.95 CA2 (0.52) CA2CA12CA1CA9CHKA
Bromide SCHEMBL21957301 0.95 CA2 (0.52) CA2CA12CA1CA9CHKA
SCHEMBL28709291 0.95 CA2 (0.52) CA2CA12CA1CA9CHKA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0609010-B1 A process for producing a diolefin polymer or copolymer and a rubber composition containing such a diolefin polymer or copolymer BRIDGESTONE CORP (JP) 2000-03-15 EP disclosed
US-5527860-A PROMOTER IS REACTION PRODUCT OF A SECONDARY AMINE AND ORGANOLITHIUM COMPOUND OR ALCOHOL AND A LITHIUM ALKOXIDE JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1996-06-18 US disclosed
EP-0609010-A2 A process for producing a diolefin polymer or copolymer and a rubber composition containing such a diolefin polymer or copolymer BRIDGESTONE CORPORATION (JP) 1994-08-03 EP disclosed