SCHEMBL8564117

SCHEMBL8564117

Clc1ccc2[nH][c]nc2c1CC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 2/20 0.41
CDK1 P06493 2/20 0.41
CCNB1 P14635 2/20 0.41
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
CCNB3 Q8WWL7 2/20 0.41
CEL P19835 1/20 0.32
HTR3A P46098 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
PDE9A O76083 1/20 0.31
GRM4 Q14833 1/20 0.30

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
SCHEMBL8565495 0.73 CCNB2 (0.34) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL18894101 0.71
SCHEMBL8567590 0.66 CCNB2 (0.33) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL2158571 0.66 SLC6A4 (0.36)
SCHEMBL26902453 0.60 CCNB2 (0.36) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL6032862 0.59 PDE3B (0.30)
SCHEMBL21788431 0.59 POLB (0.49)
SCHEMBL25787111 0.59 POLB (0.49)
SCHEMBL27818056 0.59 CEL (0.44) CEL
SCHEMBL27837579 0.59 CEL (0.44) CCNB2CDK1CCNB1GSK3AGSK3B

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-0821675-A1 NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-02-04 EP disclosed
WO-1996033176-A1 NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-10-24 WO disclosed