SCHEMBL2686485

SCHEMBL2686485

NC(=O)OCCCCCN1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.50
HRH4 Q9H3N8 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2D6 P10635 1/20 0.45
KCNH2 Q12809 2/20 0.44
HRH1 P35367 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAOB P27338 2/20 0.43

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
SCHEMBL4807116 0.96 HRH3 (0.50) HRH3HRH4L3MBTL1CYP2D6KCNH2
SCHEMBL31243628 0.91 CYP2D6 (0.54) HRH3L3MBTL1CYP2D6KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7396009 0.89 CYP2D6 (0.53) HRH3L3MBTL1CYP2D6KDM4EALDH1A1
SCHEMBL29085663 0.87 PAOX (0.49) HRH3CYP2D6KCNH2KDM4EALDH1A1
SCHEMBL28927092 0.84 CXCR4 (0.47) HRH1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL167666 0.84 L3MBTL1 (0.52) HRH3L3MBTL1CYP2D6HRH1KDM4E
SCHEMBL5093580 0.82 L3MBTL1 (0.55) L3MBTL1KDM4EALDH1A1CYP1A2MAPK1
SCHEMBL22266346 0.82 CXCR4 (0.44) HRH1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL8568373 0.81 HRH3 (0.52) HRH3HRH4KCNH2HRH1KDM4E
SCHEMBL23407993 0.79 ALDH1A1 (0.49) HRH3L3MBTL1CYP2D6KDM4EALDH1A1

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-2142518-B1 3,4-DIHYDROQUINAZOLINE DERIVATIVES DONGWOO SYNTECH CO LTD (KR) 2012-05-02 EP disclosed
US-8168646-B2 3,4-dihydroquinazoline derivatives DONGWOO SYNTECH CO., LTD. (KR) 2012-05-01 US disclosed
EP-2142518-A1 3,4-DIHYDROQUINAZOLINE DERIVATIVES Dongwoo Syntech Co., Ltd. (KR) 2010-01-13 EP disclosed
WO-2008136631-A1 3,4-DIHYDROQUINAZOLINE DERIVATIVES DONGWOO SYNTECH CO., LTD. (KR) 2008-11-13 WO disclosed