SCHEMBL8472267

SCHEMBL8472267

CN(C)CCCn1c(C(=O)NC2CCCCCCC2)c(C(c2ccccc2)c2ccccc2)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.44
CNR2 P34972 3/20 0.43
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
SCHEMBL8476064 0.97 KDM4E (0.44) KDM4ESMN1; SMN2HIF1ACNR2CHRM2
SCHEMBL8473304 0.94 KDM4E (0.46) KDM4ESMN1; SMN2CNR2NPC1RAB9A
SCHEMBL8475760 0.94 KDM4E (0.46) KDM4ESMN1; SMN2CNR2NPC1RAB9A
Hydrochloric Acid SCHEMBL8474427 0.94 KDM4E (0.46) KDM4ESMN1; SMN2CNR2NPC1RAB9A
Hydrochloric Acid SCHEMBL8472265 0.93 KDM4E (0.44) KDM4ESMN1; SMN2CNR2NPC1RAB9A
Hydrochloric Acid SCHEMBL8472403 0.91 KDM4E (0.42) KDM4ESMN1; SMN2CNR2KCNH2NPC1
Hydrochloric Acid SCHEMBL8472257 0.89 KDM4E (0.42) KDM4ESMN1; SMN2CNR2NPC1RAB9A
Hydrochloric Acid SCHEMBL8479395 0.89 ALDH1A1 (0.40) KDM4ESMN1; SMN2CNR2HTR6ALDH1A1
SCHEMBL8476147 0.86 TSHR (0.49) KDM4ESMN1; SMN2CNR2CCR5TSHR
SCHEMBL8477083 0.86 CYP3A4 (0.49) KDM4ESMN1; SMN2CNR2DRD2DRD3

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