SCHEMBL1706846

SCHEMBL1706846

COC(=O)C=Cc1cnc(N[C@@H]2CCN(CCc3cccc(F)c3)C2)cn1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
CACNA1G O43497 1/20 0.40
OPRM1 P35372 3/20 0.39
HTR2A P28223 1/20 0.39
SIGMAR1 Q99720 3/20 0.38
CCNT1 O60563 2/20 0.38
CDK9 P50750 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR7 P34969 1/20 0.37

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
SCHEMBL1706845 1.00 ATM (0.40) ATMCACNA1GOPRM1HTR2ASIGMAR1
SCHEMBL1707751 0.95 SLC6A3 (0.41) ATMCACNA1GHTR2ACCNT1SLC6A3
SCHEMBL1707312 0.91 OPRM1 (0.42) ATMCACNA1GOPRM1SIGMAR1SLC6A3
SCHEMBL1707309 0.91 OPRM1 (0.42) ATMCACNA1GOPRM1SIGMAR1SLC6A3
SCHEMBL1707677 0.89 HDAC1 (0.42) ATMCACNA1GOPRM1HTR2ASIGMAR1
SCHEMBL1707428 0.89 PDPK1 (0.37) HTR2ASIGMAR1
SCHEMBL1707679 0.89 HDAC1 (0.42) ATMCACNA1GOPRM1HTR2ASIGMAR1
Hydrochloric Acid SCHEMBL1707198 0.88 HDAC1 (0.41) ATMCACNA1GOPRM1HTR2ASIGMAR1
Hydrochloric Acid SCHEMBL1707202 0.88 HDAC1 (0.41) ATMCACNA1GOPRM1HTR2ASIGMAR1
Hydrochloric Acid SCHEMBL1707307 0.88 HDAC1 (0.41) ATMCACNA1GOPRM1HTR2ASIGMAR1

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-1981877-B1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC (JP) 2012-04-18 EP disclosed