SCHEMBL21765632

SCHEMBL21765632

O=CC1(n2cccc2-c2ccccc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.35
CHEK1 O14757 1/20 0.31
MAP4K4 O95819 1/20 0.31
CSF1R P07333 1/20 0.31
PRKACA P17612 1/20 0.31
KDR P35968 1/20 0.31
CDK8 P49336 1/20 0.31
MAP2K1 Q02750 1/20 0.31
ACVR1 Q04771 1/20 0.31
MAP4K2 Q12851 1/20 0.31
ROCK1 Q13464 1/20 0.31
DYRK1A Q13627 1/20 0.31
AURKB Q96GD4 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
ATM Q13315 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
SCHEMBL21765777 0.80 PTGS2 (0.36)
SCHEMBL21747227 0.72 PCSK9 (0.35) PCSK9
SCHEMBL21747417 0.70 EGLN1 (0.37) PCSK9
SCHEMBL21747303 0.70 ALDH1A1 (0.40) PCSK9
SCHEMBL21747254 0.69 ALDH1A1 (0.39)
SCHEMBL21747383 0.67 EGLN1 (0.35) PCSK9MAP2K1DYRK1B
SCHEMBL21747414 0.67 EGLN1 (0.40)
SCHEMBL6445284 0.66 PCSK9 (0.41) PCSK9CHEK1MAP4K4CSF1RPRKACA
SCHEMBL21747421 0.65 EGLN1 (0.37)
Formamide SCHEMBL28739639 0.61 ATM (0.52) PCSK9ATM

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
EP-3613742-A1 INDOLIZINE DERIVATIVES AND APPLICATION THEREOF IN MEDICINE Kind Pharmaceutical (CN) 2020-02-26 EP disclosed