SCHEMBL8551437

SCHEMBL8551437

O=C(O)CN1CCN(C(=O)CCc2cn(C3CCNCC3)cn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
CACNA2D1 P54289 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNB1 Q02641 1/20 0.36
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
CPB2 Q96IY4 11/20 0.34
POLB P06746 1/20 0.34
TPSAB1 Q15661 2/20 0.33
TPSD1 Q9BZJ3 2/20 0.33
TPSG1 Q9NRR2 2/20 0.33

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 SCHEMBL8550968 0.87 CPB2 (0.33) CPB1KDM2BCACNA2D1CACNA1BCACNB1
SCHEMBL8550448 0.76 CPB1 (0.37) CPB1KDM2BPOLB
SCHEMBL8550443 0.76 CPB1 (0.37) CPB1KDM2BPOLB
Hydrochloric Acid SCHEMBL8552902 0.70 SELL (0.46) CPB1KDM2BCPB2
SCHEMBL19141821 0.70 CPB2 (0.54) CPB1CPB2
SCHEMBL19141762 0.70 CPB2 (0.54) CPB1CPB2
SCHEMBL8554405 0.69 CDK5 (0.47) CPB1KDM2B
SCHEMBL25626287 0.69 CPB1 (0.41) CPB1KDM2BCPB2
SCHEMBL19141937 0.68 CPB2 (0.56) CPB2
SCHEMBL19142536 0.68 CPB2 (0.56) CPB2

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
EP-0858457-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM Dr. Karl Thomae GmbH (DE) 1998-08-19 EP disclosed
WO-1997015567-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM DR. KARL THOMAE GMBH (DE) 1997-05-01 WO disclosed