SCHEMBL5599176

SCHEMBL5599176

C=C(C)CC1N(C(=O)c2cccc3c2C(=O)c2ccccc2-3)c2ccccc2C12CCNCC2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
FUCA1 P04066 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL5781699 1.00 GLA (0.39) GLAALDH1A1LMNAPOLBMAPT
SCHEMBL5599710 0.76 GLA (0.37) GLAALDH1A1LMNAPOLBMAPT
SCHEMBL5599793 0.75 LMNA (0.44) ALDH1A1LMNAPOLBMAPTKMT2A
SCHEMBL5599670 0.70 CYP2C19 (0.44) ALDH1A1MAPTNPC1KMT2ASMN1; SMN2
SCHEMBL5783811 0.70 HTT (0.36) LMNAHTTTP53
SCHEMBL5599482 0.69 HTT (0.37) ALDH1A1LMNAHTTKMT2ASMN1; SMN2
SCHEMBL5784794 0.69 RXFP1 (0.42) KMT2ATP53
SCHEMBL5599667 0.69 ATM (0.37) HTTATMSMN1; SMN2
SCHEMBL5599757 0.69 SIGMAR1 (0.40) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL5578568 0.67 NOTUM (0.43) GLAALDH1A1LMNAPOLBMAPT

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-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 WO claimed