SCHEMBL8865952

SCHEMBL8865952

OCCNc1ccccc1NCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.48
P2RX7 Q99572 12/20 0.47
KDM5A P29375 1/20 0.46
KDM5B Q9UGL1 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL8866008 0.91 P2RX7 (0.47) EPHX2P2RX7KDM5AKDM5BMEN1
SCHEMBL8866420 0.81 EPHX2 (0.47) EPHX2P2RX7KDM5AKDM5BMEN1
SCHEMBL8866603 0.81 EPHX2 (0.42) EPHX2P2RX7KDM5AKDM5BMEN1
SCHEMBL8867555 0.81 P2RX7 (0.46) EPHX2P2RX7KDM5AKDM5B
SCHEMBL8558042 0.79 DRD3 (0.49) EPHX2P2RX7KDM5AKDM5B
SCHEMBL8558586 0.78 P2RX7 (0.47) EPHX2P2RX7KDM5AKDM5BMEN1
SCHEMBL8557667 0.76 SIGMAR1 (0.49) EPHX2MEN1KMT2A
SCHEMBL6156472 0.75 KDM4E (0.57)
SCHEMBL6650826 0.73 P2RX7 (0.61) EPHX2P2RX7KDM5AKDM5BMEN1
SCHEMBL8558652 0.72 SIGMAR1 (0.53) EPHX2P2RX7KDM5AKDM5BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5686449-A 1,5-benzodiazepines useful as gastrinor CCK-antagonists GLAXO WELLCOME S.P.A. (IT) 1997-11-11 US disclosed