SCHEMBL8747262

SCHEMBL8747262

COc1cc2c(cc1C)CCN=C2C1(c2ccccc2Cl)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPK10 P53779 14/20 0.44
KDM4E B2RXH2 2/20 0.41
MAOA P21397 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPK14 Q16539 4/20 0.41
PKM P14618 1/20 0.40
RAD52 P43351 1/20 0.40
MAPK9 P45984 2/20 0.39
GLA P06280 1/20 0.39
RCE1 Q9Y256 1/20 0.39
MAPK8 P45983 1/20 0.38

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
SCHEMBL8747316 0.88 MAPK10 (0.45) MAPTLMNAHTTSMN1; SMN2NPSR1
SCHEMBL8971786 0.83 MAPK10 (0.48) MAPTLMNAHTTSMN1; SMN2NPSR1
SCHEMBL8747341 0.83 MAPK14 (0.40) MAPTLMNAHTTSMN1; SMN2NPSR1
SCHEMBL8747185 0.83 KDM4E (0.48) MAPTLMNAHTTSMN1; SMN2NPSR1
SCHEMBL8546617 0.80 MAOA (0.41) MAPTLMNAHTTSMN1; SMN2NPSR1
SCHEMBL8747150 0.79 KDM4E (0.47) MAPTLMNAHTTSMN1; SMN2NPSR1
SCHEMBL8547555 0.78 KDM4E (0.42) MAPTLMNAHTTSMN1; SMN2NPSR1
SCHEMBL8546179 0.78 MAOA (0.41) MAPTLMNAMAPK10KDM4EMAOA
SCHEMBL8747049 0.78 MAPK10 (0.50) MAPTLMNAHTTSMN1; SMN2NPSR1
SCHEMBL8747171 0.76 MAPT (0.44) MAPTLMNAHTTSMN1; SMN2NPSR1

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-0618900-B1 SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS KNOLL AG (DE) 1997-03-12 EP disclosed
US-5519034-A ANALGESICS THE BOOTS COMPANY PLC (GB) 1996-05-21 US disclosed
EP-0618900-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS. BOOTS CO PLC (GB) 1994-10-12 EP disclosed
WO-1993013073-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1993-07-08 WO disclosed