SCHEMBL8534713

SCHEMBL8534713

O[C@H]1CC[C@H](c2ccc(CN3CCOCC3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.57
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
TEAD1 P28347 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LTA4H P09960 5/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
ESR2 Q92731 1/20 0.46

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
SCHEMBL8534716 1.00 HRH3 (0.57) HRH3KMT2AMEN1TEAD1SMN1; SMN2
SCHEMBL8532860 0.86 HRH3 (0.56) HRH3KMT2AMEN1LTA4HKDM4E
SCHEMBL8532857 0.86 HRH3 (0.56) HRH3KMT2AMEN1LTA4HKDM4E
SCHEMBL8533991 0.84 HRH3 (0.58) HRH3KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL8533993 0.84 HRH3 (0.58) HRH3KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL28842288 0.83 HRH3 (0.52) HRH3KMT2AMEN1TEAD1SMN1; SMN2
SCHEMBL27805654 0.82 LTA4H (0.62) HRH3KMT2AMEN1SMN1; SMN2LTA4H
SCHEMBL3022632 0.82 HRH3 (0.57) HRH3KMT2AMEN1TEAD1SMN1; SMN2
SCHEMBL8084041 0.81 HRH3 (0.53) HRH3KMT2AMEN1TEAD1SMN1; SMN2
SCHEMBL8587005 0.79 HRH3 (0.48) HRH3KMT2ATEAD1SMN1; SMN2KDM4E

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-0757669-B1 O-ACYL-4-PHENYL-CYCLOHEXANOLS, THEIR SALTS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE, AS WELL AS A METHOD OF PREPARING THEM BOEHRINGER INGELHEIM PHARMA (DE) 1998-11-18 EP disclosed
EP-0757669-A1 O-ACYL-4-PHENYL-CYCLOHEXANOLS, THEIR SALTS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE, AS WELL AS A METHOD OF PREPARING THEM Dr. Karl Thomae GmbH (DE) 1997-02-12 EP disclosed
WO-1995029148-A1 O-ACYL-4-PHENYL-CYCLOHEXANOLS, THEIR SALTS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE, AS WELL AS A METHOD OF PREPARING THEM DR. KARL THOMAE GMBH (DE) 1995-11-02 WO disclosed