SCHEMBL4603603

SCHEMBL4603603

CCCCOC(=O)NC(CCC(=O)OCC(C)C)N(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.38
CHRNA4 P43681 3/20 0.38
MAPT P10636 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
EPHX1 P07099 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
MCL1 Q07820 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DNM1 Q05193 1/20 0.35

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
SCHEMBL4602214 0.87 EPHX1 (0.41) CHRNB2CHRNA4MAPTCHRNB4CHRNA3
SCHEMBL4631032 0.82 EPHX1 (0.42) CHRNB2CHRNA4MAPTCHRNB4CHRNA3
SCHEMBL4601994 0.80 CHRNB2 (0.42) CHRNB2CHRNA4MAPTCHRNB4CHRNA3
SCHEMBL11465997 0.74 MAPT (0.61) MAPTCYP3A4TSHRATMTDP1
SCHEMBL2222653 0.74 EPHX1 (0.45) CHRNB2CHRNA4MAPTCHRNB4CHRNA3
SCHEMBL4603597 0.73 CTSL (0.38) CHRNB2CHRNA4MAPTCHRNB4CHRNA3
SCHEMBL4601990 0.73 CHRNB2 (0.42) CHRNB2CHRNA4MAPTCHRNB4CHRNA3
SCHEMBL1866206 0.73 MAPT (0.64) MAPTCYP3A4TSHRATMTDP1
SCHEMBL127529 0.70 DGKA (0.53) MAPTCYP3A4TSHRATMTDP1
SCHEMBL14810239 0.70 MAPT (0.53) MAPTCYP3A4TSHRATMTDP1

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-1924568-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2008-05-28 EP disclosed
EP-1915351-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2008-04-30 EP disclosed
WO-2007011623-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2007-01-25 WO disclosed
WO-2007011618-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2007-01-25 WO disclosed