SCHEMBL19851269

SCHEMBL19851269

Cc1cc(C#N)c(C2CC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.44
CHRNA7 P36544 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CNR2 P34972 3/20 0.35
KCNH2 Q12809 3/20 0.34
GPR119 Q8TDV5 2/20 0.34
CHRM4 P08173 4/20 0.32
CNR1 P21554 1/20 0.32
AR P10275 1/20 0.32
CHRNB2 P17787 4/20 0.31
CHRNB4 P30926 4/20 0.31
CHRNA3 P32297 4/20 0.31
CHRNA4 P43681 4/20 0.31
KCNJ1 P48048 1/20 0.31
CYP17A1 P05093 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
SCHEMBL19837309 0.79 MBOAT4 (0.39) MBOAT4KDM4EALDH1A1CHRNB2CHRNA4
SCHEMBL19837448 0.79 KDM4E (0.39) MBOAT4KDM4EALDH1A1CNR2
SCHEMBL18017351 0.75 UHRF1 (0.45) CHRNA7KDM4ECNR2CHRM4CNR1
SCHEMBL19837312 0.75 MBOAT4 (0.37) MBOAT4KDM4EALDH1A1
SCHEMBL21927208 0.74 UHRF1 (0.38) MBOAT4KDM4EALDH1A1AR
SCHEMBL2751008 0.72 UHRF1 (0.41) KDM4EALDH1A1
SCHEMBL19225568 0.72 CHRNA7 (0.39) CHRNA7CNR2KCNH2CHRM4CNR1
SCHEMBL25930436 0.72 UHRF1 (0.47) MBOAT4CHRNA7CNR2CNR1CYP17A1
SCHEMBL24278226 0.71 XDH (0.46) CNR2AR
SCHEMBL21212290 0.71 UHRF1 (0.40) CHRNA7KDM4ECNR2CYP17A1

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-3494120-B1 OXADIAZOLOPYRIDINE DERIVATIVES FOR USE AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-03-17 EP disclosed
WO-2018024653-A1 OXADIAZOLOPYRIDINE DERIVATES FOR USE AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-08 WO disclosed