SCHEMBL8898545

SCHEMBL8898545

CC(C)NC(=O)c1c(C(c2ccccc2)c2ccccc2)c2ccccc2n1CCCN1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.44
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
NPY5R Q15761 1/20 0.41
ABCB1 P08183 1/20 0.41
HTR7 P34969 4/20 0.41
OPRK1 P41145 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL8472860 0.98 HTR7 (0.43) CNR2KDM4EALDH1A1HTTNPC1
SCHEMBL8473694 0.95 KDM4E (0.44) CNR2KDM4EALDH1A1HTTNPC1
SCHEMBL8477346 0.94 KDM4E (0.45) CNR2KDM4EALDH1A1HTTNPC1
Hydrochloric Acid SCHEMBL8472609 0.89 KDM4E (0.43) CNR2KDM4EALDH1A1HTTNPC1
SCHEMBL8475143 0.88 CNR2 (0.51) CNR2ALDH1A1
SCHEMBL8472179 0.87 KDM4E (0.48) CNR2KDM4EALDH1A1LMNATDP1
SCHEMBL8477838 0.87 CNR2 (0.48) CNR2KDM4EALDH1A1ABCB1HTR7
Hydrochloric Acid SCHEMBL8473198 0.87 KDM4E (0.46) CNR2KDM4EALDH1A1HTTNPC1
SCHEMBL8472493 0.87 KDM4E (0.52) CNR2KDM4EALDH1A1LMNAHTR7
SCHEMBL8473412 0.87 LTA4H (0.51) KDM4EALDH1A1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0782989-A1 INDOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-07-09 EP disclosed