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
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