SCHEMBL7377352

SCHEMBL7377352

CN[C@@H]1CCC[C@@H]1COc1ccc(C(C)(C)c2ccc(F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
TP53 P04637 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 2/20 0.45
CYP1A2 P05177 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PPARG P37231 1/20 0.45
HIF1A Q16665 1/20 0.45
LTA4H P09960 1/20 0.37
PSMB1 P20618 1/20 0.36
PSMB5 P28074 1/20 0.36
PSMB2 P49721 1/20 0.36
SSTR4 P31391 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7459212 1.00 KMT2A (0.45) KMT2AMEN1TP53MAPTHPGD
SCHEMBL7459224 1.00 KMT2A (0.45) KMT2AMEN1TP53MAPTHPGD
Hydrochloric Acid SCHEMBL7403209 0.99 KMT2A (0.44) KMT2AMEN1TP53MAPTHPGD
Hydrochloric Acid SCHEMBL7403208 0.99 KMT2A (0.44) KMT2AMEN1TP53MAPTHPGD
SCHEMBL22303073 0.91 LTA4H (0.43) KMT2ALTA4HLMNA
Hydrochloric Acid SCHEMBL29424946 0.90 LTA4H (0.42) KMT2AMAPTLTA4HLMNA
SCHEMBL7375422 0.89 KMT2A (0.54) KMT2AMEN1TP53MAPTHPGD
SCHEMBL8398121 0.89 KMT2A (0.54) KMT2AMEN1TP53MAPTHPGD
Hydrochloric Acid SCHEMBL7447597 0.88 KMT2A (0.53) KMT2AMEN1TP53MAPTHPGD
SCHEMBL8395932 0.82 MEN1 (0.47) KMT2AMEN1TP53MAPTHPGD

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 6 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
EP-0752981-A1 SUBSTITUTED CYCLOALKYLAMINE DERIVATIVES AND THEIR USE AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-01-15 EP claimed
WO-1995026327-A1 SUBSTITUTED CYCLOALKYLAMINE DERIVATIVES AND THEIR USE AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-10-05 WO claimed
EP-0752981-B1 SUBSTITUTED CYCLOPENTYLAMINE DERIVATIVES AND THEIR USE AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-06-09 EP disclosed
EP-0752981-A1 SUBSTITUTED CYCLOALKYLAMINE DERIVATIVES AND THEIR USE AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-01-15 EP disclosed
WO-1995026327-A1 SUBSTITUTED CYCLOALKYLAMINE DERIVATIVES AND THEIR USE AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-10-05 WO disclosed