SCHEMBL8396146

SCHEMBL8396146

CN[C@@H]1CCC[C@@H]1COc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 17/20 0.53
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
HRH3 Q9Y5N1 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
SCHEMBL7374702 1.00 LTA4H (0.53) LTA4HL3MBTL1KDM4EMEN1ALDH1A1
SCHEMBL8396144 1.00 LTA4H (0.53) LTA4HL3MBTL1KDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL7457991 0.99 LTA4H (0.52) LTA4HL3MBTL1KDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL7447607 0.84 BCHE (0.41) LTA4HL3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL7447605 0.84 LTA4H (0.39) LTA4H
SCHEMBL7375422 0.84 KMT2A (0.54) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL8398121 0.84 KMT2A (0.54) KDM4EMEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL7447597 0.83 KMT2A (0.53) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL22303073 0.82 LTA4H (0.43) LTA4HKMT2A
SCHEMBL7375323 0.82 HRH3 (0.48) LTA4HMEN1KMT2AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0752981-B1 SUBSTITUTED CYCLOPENTYLAMINE DERIVATIVES AND THEIR USE AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-06-09 EP claimed
US-5817698-A Substituted cycloalkylamine derivatives and their use as calcium channel antagonists SMITHKLINE BEECHAM PLC (GB) 1998-10-06 US claimed
US-5817698-A Substituted cycloalkylamine derivatives and their use as calcium channel antagonists SMITHKLINE BEECHAM PLC (GB) 1998-10-06 US disclosed