SCHEMBL7400511

SCHEMBL7400511

c1ccc(COc2ccc(OCCCCCN3CCCCC3)cc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.85
ALDH1A1 P00352 2/20 0.85
NPY1R P25929 1/20 0.85
NPC1 O15118 3/20 0.82
RAB9A P51151 3/20 0.82
HTT P42858 2/20 0.82
NPSR1 Q6W5P4 1/20 0.82
L3MBTL1 Q9Y468 1/20 0.82
LTA4H P09960 1/20 0.78
SMN1; SMN2 Q16637 2/20 0.78
HRH3 Q9Y5N1 12/20 0.74
KCNH2 Q12809 3/20 0.74
HRH4 Q9H3N8 3/20 0.74
HRH1 P35367 1/20 0.66

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
SCHEMBL7400512 1.00 KDM4E (0.85) KDM4EALDH1A1NPY1RNPC1RAB9A
SCHEMBL7402377 1.00 KDM4E (0.85) KDM4EALDH1A1NPY1RNPC1RAB9A
SCHEMBL7397895 1.00 KDM4E (0.85) KDM4EALDH1A1NPY1RNPC1RAB9A
SCHEMBL7399833 1.00 KDM4E (0.85) KDM4EALDH1A1NPY1RNPC1RAB9A
Hydrochloric Acid SCHEMBL7401307 0.99 KDM4E (0.83) KDM4EALDH1A1NPY1RNPC1RAB9A
Hydrochloric Acid SCHEMBL7398651 0.99 KDM4E (0.83) KDM4EALDH1A1NPY1RNPC1RAB9A
Hydrochloric Acid SCHEMBL7398993 0.99 KDM4E (0.83) KDM4EALDH1A1NPY1RNPC1RAB9A
Hydrochloric Acid SCHEMBL7404456 0.99 KDM4E (0.83) KDM4EALDH1A1NPY1RNPC1RAB9A
Hydrochloric Acid SCHEMBL7402517 0.99 KDM4E (0.83) KDM4EALDH1A1NPY1RNPC1RAB9A
SCHEMBL7402238 0.99 KDM4E (0.85) KDM4EALDH1A1NPY1RNPC1RAB9A

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