SCHEMBL7996086

SCHEMBL7996086

BrCc1ccc(-c2ccccc2)cc1.Cc1nc(-c2ccc(CN3CCN(Cc4ccc(-c5ccccc5)cc4)CC3=O)cc2)no1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
S1PR1 P21453 11/20 0.46
S1PR4 O95977 1/20 0.46
S1PR5 Q9H228 1/20 0.46
CYP2D6 P10635 1/20 0.46
KCNH2 Q12809 1/20 0.46
SLC2A1 P11166 1/20 0.44
PLA2G2A P14555 2/20 0.44
APP P05067 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
S1PR3 Q99500 8/20 0.42
KMT2A Q03164 1/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL8003297 0.92 SLC2A1 (0.41) LMNATSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL7997762 0.92 TSHR (0.55) LMNATSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL7996074 0.92 HCRTR1 (0.46) LMNATSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL8003114 0.90 HCRTR1 (0.46) LMNATSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL7999727 0.89 HCRTR1 (0.46) LMNATSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL7996342 0.89 HCRTR1 (0.47) LMNATSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL7999728 0.88 PLA2G2A (0.42) LMNATSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL7999778 0.87 SLC2A1 (0.43) LMNATSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL7999722 0.85 ALDH1A1 (0.45) LMNATSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL7997813 0.84 HCRTR1 (0.44) LMNATSHRALDH1A1MAPTSMN1; SMN2

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-2000008005-A2 PIPERAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2000-02-17 WO disclosed