SCHEMBL8625191

SCHEMBL8625191

O=CC(CC(=O)O)C(c1cn(C2CCNCC2)cn1)N1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 4/20 0.45
KDM2B Q8NHM5 1/20 0.36
CPB2 Q96IY4 4/20 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
Hydrochloric Acid SCHEMBL8626563 0.87 CPB1 (0.40) CPB1KDM2BCPB2
SCHEMBL13406413 0.65 KDM2B (0.49) CPB1KDM2BCPB2
SCHEMBL19589409 0.64 CPB1 (0.39) CPB1KDM2B
SCHEMBL19589408 0.64 CPB1 (0.48) CPB1KDM2B
SCHEMBL5148920 0.62 CPB1 (1.00) CPB1CPB2
Hydrochloric Acid SCHEMBL5147971 0.61 CPB1 (0.98) CPB1CPB2
SCHEMBL17396261 0.61 CPB1 (0.45) CPB1KDM2BCPB2
SCHEMBL25626287 0.61 CPB1 (0.41) CPB1KDM2BCPB2
SCHEMBL8550448 0.60 CPB1 (0.37) CPB1KDM2B
SCHEMBL8554405 0.60 CDK5 (0.47) CPB1KDM2B

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-5817677-A ANTITHROMBOSIS AGENTS DR. KARL THOMAE GMBH (DE) 1998-10-06 US disclosed