SCHEMBL7366752

SCHEMBL7366752

CCCN(C(=O)C(C(N)=O)c1ccc(OCc2ccccc2)cc1)n1ccnc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
ALOX5 P09917 2/20 0.45
CYP26A1 O43174 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.41
HMOX1 P09601 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
LTA4H P09960 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40

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
SCHEMBL7372181 0.77 ALOX5 (0.51) ALOX5L3MBTL1
SCHEMBL7369227 0.70 QPCT (0.63) CYP19A1CYP11B1CYP11B2MAPTHMOX1
SCHEMBL7366435 0.68 MBTPS1 (0.47) ALOX5
SCHEMBL11706076 0.68 CYP17A1 (0.67) CYP19A1CYP11B1CYP11B2CYP26A1CYP3A4
SCHEMBL9556461 0.67 HRH4 (0.42) CYP19A1CYP11B1CYP11B2CYP26A1
SCHEMBL2170633 0.67 ALOX5 (0.67) ALOX5LTA4H
SCHEMBL7761599 0.66 NR4A1 (0.62) ALOX5
SCHEMBL6398854 0.66 EGLN3 (0.40) CYP19A1
SCHEMBL11099357 0.66 LTA4H (0.56) ALOX5L3MBTL1LTA4H
SCHEMBL4435910 0.66 ALOX5 (0.58) ALOX5L3MBTL1

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
WO-1998054123-A1 SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1998-12-03 WO claimed
WO-1998054123-A1 SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1998-12-03 WO disclosed