SCHEMBL8558586

SCHEMBL8558586

Nc1ccccc1NCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.47
EPHX2 P34913 2/20 0.47
KDM5A P29375 1/20 0.45
KDM5B Q9UGL1 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL8866420 0.80 EPHX2 (0.47) P2RX7EPHX2KDM5AKDM5BMEN1
SCHEMBL8865952 0.78 EPHX2 (0.48) P2RX7EPHX2KDM5AKDM5BMEN1
SCHEMBL17483908 0.77 P2RX7 (0.67) P2RX7EPHX2
SCHEMBL6650826 0.75 P2RX7 (0.61) P2RX7EPHX2KDM5AKDM5BMEN1
SCHEMBL8866008 0.75 P2RX7 (0.47) P2RX7EPHX2KDM5AKDM5BMEN1
SCHEMBL8867555 0.74 P2RX7 (0.46) P2RX7EPHX2KDM5AKDM5B
SCHEMBL8558652 0.74 SIGMAR1 (0.53) P2RX7EPHX2KDM5AKDM5BMEN1
SCHEMBL8866603 0.74 EPHX2 (0.42) P2RX7EPHX2KDM5AKDM5BMEN1
SCHEMBL29466655 0.74 ALOX15 (0.47) EPHX2MEN1KMT2A
SCHEMBL8866573 0.74 ALOX15 (0.47) EPHX2MEN1KMT2A

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-0710230-B1 1,5-BENZODIAZEPINE DERIVATIVES USEFUL AS CCK OR GASTRIN ANTAGONISTS GLAXO WELLCOME SPA (IT) 1998-09-16 EP disclosed
US-5716953-A MODIFIERS OF GASTRIN AND CHOLECYSTOKININS GLAXO WELLCOME S.P.A. (IT) 1998-02-10 US disclosed
US-5686449-A 1,5-benzodiazepines useful as gastrinor CCK-antagonists GLAXO WELLCOME S.P.A. (IT) 1997-11-11 US disclosed
CN-1138853-A 1,5-benzodiazepine derivatives useful as CCK or gastrin antagonists GLAXO SPA (IT) 1996-12-25 CN disclosed
EP-0710230-A1 1,5-BENZODIAZEPINE DERIVATIVES USEFUL AS CCK OR GASTRIN ANTAGONISTS GLAXO S.p.A. (IT) 1996-05-08 EP disclosed
WO-1995003285-A1 1,5-BENZODIAZEPINE DERIVATIVES USEFUL AS CCK OR GASTRIN ANTAGONISTS GLAXO SPA (IT) 1995-02-02 WO disclosed