SCHEMBL7837579

SCHEMBL7837579

O=C1CC(CCO)CCN1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
TYMP P19971 2/20 0.33
OPRL1 P41146 3/20 0.32
MMP3 P08254 1/20 0.31
MMP8 P22894 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL17342284 0.83
SCHEMBL6921399 0.83
SCHEMBL5015068 0.82 OPRL1 (0.35) OPRL1
SCHEMBL21494787 0.80 OPRL1 (0.34) OPRL1IRAK4
SCHEMBL5502631 0.80 CYP1A2 (0.37) OPRL1IRAK4PDCD1CD274
SCHEMBL16429781 0.79
SCHEMBL523257 0.79
SCHEMBL3000480 0.79
SCHEMBL26718370 0.77 CYP1A2 (0.46) OPRL1
SCHEMBL26064924 0.77

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3860998-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY Annapurna Bio Inc. (US) 2021-08-11 EP disclosed
WO-2020073011-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY ANNAPURNA BIO, INC. (US) 2020-04-09 WO disclosed
EP-1154774-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2001-11-21 EP disclosed
WO-2000047212-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2000-08-17 WO disclosed