SCHEMBL1574074

SCHEMBL1574074

COC(=O)c1cccc(N(C)C=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 4/20 0.47
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ERN1 O75460 3/20 0.47
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.43
P4HB P07237 2/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43

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
SCHEMBL30444224 0.83 KDM4E (0.58) LOXL2TSHRALDH1A1RAB9AKDM4E
SCHEMBL641703 0.83 KDM4E (0.58) LOXL2TSHRALDH1A1RAB9AKDM4E
SCHEMBL28275591 0.83 LOXL2 (0.46) LOXL2TSHRALDH1A1RAB9AKDM4E
SCHEMBL28276887 0.83 LOXL2 (0.50) LOXL2TSHRALDH1A1RAB9AKDM4E
SCHEMBL5821566 0.81 HTT (0.44) TSHRALDH1A1RAB9AKDM4EMAPT
SCHEMBL1574454 0.81 UNG (0.50) TSHRALDH1A1RAB9AKDM4EMAPT
SCHEMBL26144269 0.81 LOXL2 (0.49) LOXL2TSHRALDH1A1RAB9AKDM4E
SCHEMBL28275103 0.80 TSHR (0.50) LOXL2TSHRALDH1A1RAB9AKDM4E
SCHEMBL19633270 0.80 TSHR (0.53) LOXL2TSHRALDH1A1RAB9AKDM4E
SCHEMBL14137776 0.80 ALDH1A1 (0.56) LOXL2TSHRALDH1A1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1342719-B1 Benzodiazepine derivatives useful as CCK-Receptor Antagonists FERRING BV (NL) 2011-04-13 EP disclosed
EP-1342719-A1 Benzodiazepine derivatives useful as CCK-Receptor Antagonists YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-09-10 EP disclosed
US-5962451-A GASTROINTESTINAL DISORDERS; ANTIULCER AGENT; ANTICANCER AGENTS; SIDE-EFFECT REDUCTION FERRING BV (NL) 1999-10-05 US disclosed
US-5688943-A CHOLECYSTOKININ ANTAGONIST; ANTIULCER AGENTS; PSYCHOLOGICAL DRUGS; ANXIOLYTIC AGENTS; CONTROLLING APPETITE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-18 US disclosed
EP-0628033-A1 BENZODIAZEPIN DERIVATIVES USEFUL AS CCK-RECEPTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1994-12-14 EP disclosed
WO-1993016999-A1 BENZODIAZEPIN DERIVATIVES USEFUL AS CCK-RECEPTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-09-02 WO disclosed