SCHEMBL8550443

SCHEMBL8550443

O=C(O)CN1CCN(C(=O)/C=C/c2cn(C3CCNCC3)cn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.37
KDM2B Q8NHM5 1/20 0.36
NPC1 O15118 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GPR183 P32249 3/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
APP P05067 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 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
SCHEMBL8550448 1.00 CPB1 (0.37) CPB1KDM2BNPC1MEN1KMT2A
Hydrochloric Acid SCHEMBL8595164 0.87 TDP1 (0.35) CPB1KDM2BNPC1GPR183ALDH1A1
SCHEMBL8551437 0.76 CPB1 (0.37) CPB1KDM2BPOLB
SCHEMBL19589409 0.70 CPB1 (0.39) CPB1KDM2BMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL8553117 0.69 NPC1 (0.36) CPB1KDM2BNPC1ALDH1A1CYP1A2
SCHEMBL8554405 0.69 CDK5 (0.47) CPB1KDM2B
SCHEMBL3282448 0.66 SIGMAR1 (0.44) MEN1KMT2AALDH1A1HPGD
SCHEMBL13406413 0.65 KDM2B (0.49) CPB1KDM2B
Hydrochloric Acid SCHEMBL8552568 0.65 MAP3K7 (0.35) CPB1NPC1ALDH1A1
SCHEMBL15329249 0.63 CPB2 (0.36) KDM2BNPC1MEN1KMT2AALDH1A1

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