SCHEMBL7400510

SCHEMBL7400510

CCCCCCCN1CCCCC1Oc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.50
LTA4H P09960 2/20 0.46
NPC1 O15118 7/20 0.46
RAB9A P51151 6/20 0.46
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 4/20 0.46
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPY1R P25929 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 2/20 0.43
TP53 P04637 2/20 0.42
KCNH2 Q12809 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7402374 1.00 HRH3 (0.50) HRH3LTA4HNPC1RAB9AKDM4E
SCHEMBL7399832 1.00 HRH3 (0.50) HRH3LTA4HNPC1RAB9AKDM4E
SCHEMBL7397893 1.00 HRH3 (0.50) HRH3LTA4HNPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL7402514 0.99 HRH3 (0.49) HRH3LTA4HNPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL7404454 0.99 HRH3 (0.49) HRH3LTA4HNPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL7398648 0.99 HRH3 (0.49) HRH3LTA4HNPC1RAB9AKDM4E
SCHEMBL7402234 0.97 HRH3 (0.54) HRH3LTA4HNPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL7397477 0.96 HRH3 (0.53) HRH3LTA4HNPC1RAB9AKDM4E
Oxalic Acid SCHEMBL7397763 0.95 KDM4E (0.54) HRH3NPC1RAB9AKDM4EALDH1A1
SCHEMBL7393827 0.93 KDM4E (0.45) HRH3NPC1RAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0637303-A1 N-ARYLOXY(THIO)ALKYL-AZACYCLOALKANES USEFUL AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-02-08 EP claimed
WO-1993022302-A1 N-ARYLOXY(THIO)ALKYL-AZACYCLOALKANES USEFUL AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-11-11 WO claimed
EP-0637303-A1 N-ARYLOXY(THIO)ALKYL-AZACYCLOALKANES USEFUL AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-02-08 EP disclosed
WO-1993022302-A1 N-ARYLOXY(THIO)ALKYL-AZACYCLOALKANES USEFUL AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-11-11 WO disclosed