SCHEMBL21024952

SCHEMBL21024952

CC1(F)CCC(n2cccn2)CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.33
EPHX2 P34913 1/20 0.33
CYP2D6 P10635 1/20 0.33
HRH1 P35367 1/20 0.33
KCNH2 Q12809 1/20 0.33
ELOVL1 Q9BW60 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
NOS1 P29475 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
SCHEMBL17102307 0.85 EPHX2 (0.35) LRRK2EPHX2CYP2D6HRH1KCNH2
SCHEMBL57030 0.78
Hydrochloric Acid SCHEMBL28314935 0.76
SCHEMBL574344 0.74 EPHX2 (0.38) EPHX2CYP2D6HRH1KCNH2ELOVL1
SCHEMBL13890730 0.74
SCHEMBL14722189 0.74 EPHX2 (0.33) EPHX2CYP2D6HRH1KCNH2ELOVL1
SCHEMBL8256361 0.73 PDK1 (0.36) EPHX2CYP2D6HRH1KCNH2ELOVL1
SCHEMBL22188114 0.73 PDK1 (0.36) EPHX2CYP2D6HRH1KCNH2ELOVL1
SCHEMBL26022733 0.73 ELOVL1 (0.35) LRRK2EPHX2ELOVL1HCAR2
SCHEMBL3434555 0.72 EPHX2 (0.38) EPHX2CYP2D6HRH1KCNH2ELOVL1

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-3119765-B1 HETEROARYL SYK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-07-17 EP disclosed
EP-3119772-B1 HETEROARYL SIK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-05-22 EP disclosed