SCHEMBL5322162

SCHEMBL5322162

Cc1ccc(-c2cc(=O)n(CC(O)CN3CCN(c4ncccn4)CC3)c(=O)n2-c2cc(C)cs2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 2/20 0.41
KDM4E B2RXH2 1/20 0.39
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL5325660 0.91 ALDH1A1 (0.48) KDM4EDRD4ALDH1A1MAPTLMNA
SCHEMBL5325610 0.87 MEN1 (0.39) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL5321670 0.86 ALOX15 (0.44) KDM4EALDH1A1MAPTLMNAPOLB
SCHEMBL5285676 0.85 HSD17B10 (0.36) KDM4EALDH1A1MAPTLMNAPOLB
SCHEMBL5322150 0.83 KDM4E (0.38) SLC6A7KDM4EHTR1ADRD2DRD4
SCHEMBL5325599 0.69 KDM4E (0.38) KDM4EALDH1A1MAPTLMNAPOLB
SCHEMBL18931673 0.69 MEN1 (0.36) KDM4EALDH1A1MAPTLMNAPOLB
SCHEMBL14622908 0.69 DRD2 (0.38) HTR1ADRD2DRD3
SCHEMBL5328796 0.69 DNM1 (0.45) KDM4EALDH1A1MAPTLMNAPOLB
SCHEMBL5321659 0.69 ALOX15 (0.43) KDM4EALDH1A1MAPTLMNAPOLB

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
WO-2007007161-A2 NOVEL BIO-ACTIVE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-01-18 WO disclosed