SCHEMBL4532348

SCHEMBL4532348

CC(C)(C)N1CC[C@@H](OS(C)(=O)=O)C1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL3655700 1.00 ATM (0.38) ATMHRH3
SCHEMBL18173552 0.89 ATM (0.36) ATM
SCHEMBL14941417 0.89 ATM (0.36) ATM
SCHEMBL1440281 0.89 HRH3 (0.35) ATMHRH3
SCHEMBL320728 0.84 ATM (0.47) ATM
SCHEMBL30181786 0.82 HRH3 (0.34) HRH3
SCHEMBL4445004 0.76
SCHEMBL2025950 0.76
SCHEMBL5743233 0.75 CHRM3 (0.40)
SCHEMBL1108992 0.75 CHRM4 (0.38) HRH3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014078331-A1 N-(ARYLALKYL)-N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-05-22 WO disclosed
EP-2638031-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-18 EP disclosed
WO-2012062783-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 WO disclosed