SCHEMBL14685181

SCHEMBL14685181

Cc1c(C2CC2)nc2cc(C#N)ccn12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.36
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
MCHR1 Q99705 11/20 0.36
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
ALOX5 P09917 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
CYP11B2 P19099 1/20 0.33

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
SCHEMBL12618996 0.79 KDM4E (0.39) AKT1AKT2ALDH1A1KDM4EGLA
SCHEMBL14685293 0.78 CYP11B1 (0.49) PDE10AMCHR1ALDH1A1LMNATSHR
SCHEMBL14685287 0.78 MCHR1 (0.43) PDE10AMCHR1ALDH1A1LMNATSHR
SCHEMBL14685307 0.75 PDE10A (0.51) PDE10AMCHR1
SCHEMBL14685178 0.72 ALDH1A1 (0.47) PDE10AMCHR1ALDH1A1KDM4EGLA
SCHEMBL14685158 0.68 GAA (0.40) MCHR1ALDH1A1KDM4EGAALMNA
SCHEMBL22146347 0.68 KDM4E (0.35) PDE10AAKT1AKT2ALDH1A1KDM4E
SCHEMBL24424306 0.67 TNKS (0.41) AKT1AKT2ALDH1A1KDM4EGLA
SCHEMBL14685216 0.67 ALDH1A1 (0.45) PDE10AMCHR1ALDH1A1KDM4EGLA
SCHEMBL14685221 0.67 ADORA1 (0.47) PDE10AMCHR1ALDH1A1KDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2740730-B1 DIBENZOOXEPIN DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2016-11-16 EP disclosed
US-8969345-B2 Dibenzooxepin derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2015-03-03 US disclosed
US-8969345-B2 Dibenzooxepin derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2015-03-03 US disclosed
EP-2740730-A1 DIBENZOOXEPIN DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2014-06-11 EP disclosed
WO-2013018899-A1 DIBENZOOXEPIN DERIVATIVE 協和発酵キリン株式会社 (JP) 2013-02-07 WO disclosed