SCHEMBL8477129

SCHEMBL8477129

CC(C)NC(=O)c1c(C(c2ccccc2)c2ccccc2)c2ccccc2n1CCCN(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
CNR2 P34972 3/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
CHRM5 P08912 1/20 0.42
ADRA2A P08913 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
CHRM3 P20309 1/20 0.42
DRD4 P21917 1/20 0.42
SLC6A2 P23975 1/20 0.42
HRH2 P25021 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
AVPR2 P30518 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42

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
SCHEMBL8477495 0.97 CNR2 (0.43) KDM4EALDH1A1HTTCNR2CHRM2
SCHEMBL8475130 0.94 KDM4E (0.44) KDM4EALDH1A1HTTCNR2HTR6
Hydrochloric Acid SCHEMBL8472661 0.88 KDM4E (0.42) KDM4EALDH1A1HTTCNR2HTR6
SCHEMBL8474419 0.87 CHRM2 (0.46) KDM4EALDH1A1CNR2CHRM2HTR1A
Hydrochloric Acid SCHEMBL8475905 0.86 UTS2R (0.39) KDM4EALDH1A1HTTHTR6POLB
SCHEMBL8475477 0.86 KDM4E (0.39) KDM4EALDH1A1HTTCNR2HTR6
SCHEMBL8472569 0.86 DNM1 (0.43) KDM4ECNR2POLBTDP1CYP2D6
SCHEMBL8475096 0.86 KDM4E (0.39) KDM4EALDH1A1HTTHRH3POLB
SCHEMBL8472860 0.84 HTR7 (0.43) KDM4EALDH1A1HTTCNR2POLB
SCHEMBL8898545 0.84 CNR2 (0.44) KDM4EALDH1A1HTTCNR2OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5891902-A OSTEOPOROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-04-06 US disclosed
EP-0782989-A1 INDOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-07-09 EP disclosed