SCHEMBL8558042

SCHEMBL8558042

c1ccc(NCC23CC4CC(CC(C4)C2)C3)c(NCCN2CCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.49
HRH3 Q9Y5N1 1/20 0.43
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EPHX2 P34913 1/20 0.40
P2RX7 Q99572 6/20 0.40
ACP1 P24666 1/20 0.40
SMARCA2 P51531 1/20 0.40
DPP7 Q9UHL4 1/20 0.39
KDM5A P29375 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
SIGMAR1 Q99720 2/20 0.39

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
SCHEMBL8557667 0.88 SIGMAR1 (0.49) L3MBTL1EPHX2ACP1SMARCA2SIGMAR1
SCHEMBL8865952 0.79 EPHX2 (0.48) EPHX2P2RX7KDM5AKDM5B
SCHEMBL8866008 0.76 P2RX7 (0.47) ALDH1A1EPHX2P2RX7KDM5AKDM5B
SCHEMBL8562410 0.75 SIGMAR1 (0.44) EPHX2SIGMAR1
SCHEMBL8866420 0.75 EPHX2 (0.47) EPHX2P2RX7KDM5AKDM5B
SCHEMBL8866603 0.75 EPHX2 (0.42) EPHX2P2RX7KDM5AKDM5B
SCHEMBL8867555 0.75 P2RX7 (0.46) ALDH1A1EPHX2P2RX7KDM5AKDM5B
SCHEMBL8558586 0.72 P2RX7 (0.47) EPHX2P2RX7KDM5AKDM5B
SCHEMBL6650826 0.71 P2RX7 (0.61) EPHX2P2RX7KDM5AKDM5B
SCHEMBL19114039 0.70 P2RX7 (0.39) DRD3HRH3EPHX2P2RX7SIGMAR1

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-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