SCHEMBL6097372

SCHEMBL6097372

COCC(=O)N(C)CCCO

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.33
BCHE P06276 5/20 0.33
ACHE P22303 5/20 0.33
CNR1 P21554 1/20 0.33
PDK2 Q15119 2/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
TRPV4 Q9HBA0 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
SCHEMBL6097999 0.87 PDK2 (0.38) CNR1PDK2
SCHEMBL10110619 0.84 MEN1 (0.34) SLC6A4BCHEACHECHRM2CHRM1
SCHEMBL15987565 0.83 SLC6A4 (0.43) SLC6A4TRPV4
SCHEMBL21842634 0.83 ALDH1A1 (0.40) CNR1
SCHEMBL6097360 0.83 SLC6A4 (0.33) SLC6A4BCHEACHECHRM2CHRM1
SCHEMBL25615723 0.83 ALDH1A1 (0.35) SLC6A4BCHEACHECHRM2CHRM1
SCHEMBL21477775 0.82 EPHX2 (0.45) CNR1
SCHEMBL8402961 0.80 BCHE (0.37) SLC6A4BCHEACHECHRM2CHRM1
SCHEMBL10304223 0.80 EPHX2 (0.47) BCHEACHECNR1
SCHEMBL21472474 0.79 TRPV4 (0.31) SLC6A4BCHEACHETRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1119567-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2001-08-01 EP claimed
WO-2000021955-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2000-04-20 WO claimed
US-8492560-B2 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2013-07-23 US disclosed
US-7074800-B1 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2006-07-11 US disclosed
EP-1154774-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2001-11-21 EP disclosed
EP-1119567-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2001-08-01 EP disclosed
WO-2000047212-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2000-08-17 WO disclosed
WO-2000021955-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2000-04-20 WO disclosed