SCHEMBL8472467

SCHEMBL8472467

CC(C)NC(=O)c1[nH]c2ccccc2c1C(c1ccccc1)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.51
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
HRH3 Q9Y5N1 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 2/20 0.48
APOBEC3A P31941 1/20 0.48
CASP6 P55212 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
PSMB1 P20618 1/20 0.46
PSMB5 P28074 1/20 0.46
KCNH2 Q12809 1/20 0.46
ESR1 P03372 3/20 0.45
NR1H4 Q96RI1 2/20 0.45
HTT P42858 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ESR2 Q92731 2/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL8472659 0.90 MEN1 (0.59) LTA4HDRD2DRD3HRH3MEN1
SCHEMBL8472673 0.90 HRH3 (0.48) LTA4HDRD2DRD3HRH3MEN1
SCHEMBL8472281 0.87 HRH3 (0.47) LTA4HDRD2DRD3HRH3MEN1
SCHEMBL8472571 0.86 DRD2 (0.52) LTA4HDRD2DRD3HRH3MEN1
SCHEMBL8476781 0.85 EPHX2 (0.48) LTA4HDRD2DRD3HRH3MEN1
SCHEMBL8475163 0.84 MEN1 (0.50) LTA4HMEN1KMT2APOLBAPOBEC3A
SCHEMBL8472465 0.82 MEN1 (0.45) MEN1KMT2APOLBAPOBEC3ACASP6
SCHEMBL8472242 0.82 SMN1; SMN2 (0.46) LTA4HHRH3MEN1KMT2APOLB
SCHEMBL8473412 0.80 LTA4H (0.51) LTA4HHRH3MEN1KMT2APSMB1
SCHEMBL8473549 0.74 POLB (0.45) MEN1KMT2APOLBAPOBEC3ACASP6

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