SCHEMBL8777937

SCHEMBL8777937

CC(=O)NCc1ccc2c(c1)CCN2Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.55
EPHX2 P34913 4/20 0.55
TP53 P04637 3/20 0.50
CACNA1G O43497 1/20 0.50
CACNA1H O95180 1/20 0.50
CACNA1I Q9P0X4 1/20 0.50
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
THRB P10828 1/20 0.48
LMNA P02545 3/20 0.47
KCNT1 Q5JUK3 1/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL6840328 0.80 ACHE (0.54) ALOX5EPHX2MEN1KMT2AMAPT
SCHEMBL8777890 0.80 BRD4 (0.45) ALOX5EPHX2KCNT1
SCHEMBL7710166 0.79 ALOX5 (0.53) ALOX5EPHX2ALDH1A1GAA
SCHEMBL8778007 0.78 LMNA (0.50) ALOX5EPHX2TP53THRBLMNA
SCHEMBL16494808 0.78 ACHE (0.62) ALOX5EPHX2CACNA1GCACNA1HCACNA1I
SCHEMBL9088740 0.78 ALOX5 (0.46) ALOX5EPHX2CACNA1GCACNA1HCACNA1I
SCHEMBL16494841 0.77 ACHE (0.56) ALOX5EPHX2CACNA1GCACNA1HCACNA1I
SCHEMBL8778095 0.77 FFAR1 (0.47) ALOX5EPHX2TP53LMNAPOLB
SCHEMBL16494169 0.77 ACHE (0.56) ALOX5EPHX2TP53THRBMAPT
SCHEMBL697874 0.77 ALOX5 (0.56) ALOX5EPHX2

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
EP-0651743-B1 INDOLINYL N-HYDROXYUREA AND N-HYDROXAMIC ACID DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER (US) 1997-12-17 EP disclosed