SCHEMBL7463268

SCHEMBL7463268

Cc1[c]c(Cc2ccccc2)ccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.44
LTA4H P09960 1/20 0.36
TP53 P04637 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
TAAR1 Q96RJ0 4/20 0.34
SLC6A2 P23975 2/20 0.34
MAOA P21397 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ATM Q13315 1/20 0.34
CYP2A6 P11509 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL207607 0.84 CALM1 (0.55) CALM1LTA4HTP53LOXL2MAPT
SCHEMBL2018627 0.76 CALM1 (0.41) CALM1LTA4HTP53MAPTKDM4E
SCHEMBL6544944 0.75 CALM1 (0.44) CALM1LOXL2CYP3A4LMNAMAPK1
SCHEMBL27614571 0.75 CALM1 (0.44) CALM1LTA4HLOXL2MAPTKDM4E
SCHEMBL17697662 0.73 CALM1 (0.42) CALM1LTA4HLOXL2MAPTKDM4E
SCHEMBL177368 0.73
SCHEMBL27651823 0.72 KDM4E (0.37) MAPTKDM4ECYP3A4SLC6A2SLC6A4
SCHEMBL7858661 0.71
SCHEMBL5466454 0.71
SCHEMBL2480173 0.71

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-0757986-B1 Arylpiperidine and arylpiperazine derivatives and drugs containing the same SUNTORY LTD (JP) 2002-06-12 EP disclosed
US-5723475-A Arylpiperidine and arylpiperazine derivatives and medicament containing the same SUNTORY LIMITED (JP) 1998-03-03 US disclosed
EP-0757986-A1 ARYLPIPERIDINE AND ARYLPIPERAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-12 EP disclosed