SCHEMBL7810896

SCHEMBL7810896

CN(c1ccc(F)cc1)c1nc(N2CCc3ccccc3C2)c2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.48
KDM4E B2RXH2 5/20 0.41
MAPT P10636 5/20 0.41
MAPK1 P28482 3/20 0.41
HPGD P15428 3/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 2/20 0.40
NR2C2 P49116 1/20 0.40
TAB1 Q15750 1/20 0.40
POLB P06746 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NR2F2 P24468 1/20 0.39
RAB9A P51151 1/20 0.39

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
Hydrochloric Acid SCHEMBL7818169 0.99 GBA1 (0.47) GBA1KDM4EMAPTMAPK1HPGD
Hydrochloric Acid SCHEMBL7821963 0.91 GBA1 (0.52) GBA1KDM4EMAPTMAPK1HPGD
SCHEMBL7810637 0.84 MAPT (0.47) KDM4EMAPTMAPK1HPGDTSHR
Hydrochloric Acid SCHEMBL7821018 0.83 MAPT (0.46) KDM4EMAPTMAPK1HPGDTSHR
SCHEMBL7820492 0.78 MAPT (0.49) GBA1KDM4EMAPTMAPK1HPGD
SCHEMBL7821547 0.78 LMNA (0.65) GBA1KDM4EMAPTMAPK1HPGD
Hydrochloric Acid SCHEMBL7820964 0.77 MAPT (0.48) GBA1KDM4EMAPTMAPK1HPGD
Hydrochloric Acid SCHEMBL7822581 0.77 LMNA (0.67) GBA1KDM4EMAPTMAPK1HPGD
SCHEMBL6991703 0.76 CHRM3 (0.44) HPGDSMN1; SMN2NR2C2TAB1HTT
Hydrochloric Acid SCHEMBL6990940 0.75 CHRM3 (0.43) HPGDSMN1; SMN2NR2C2TAB1HTT

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-0677049-B1 QUINAZOLINE DERIVATIVES YUHAN CORP LTD (KR) 2001-07-25 EP claimed
EP-0677049-A1 QUINAZOLINE DERIVATIVES YUHAN CORPORATION, LTD. (KR) 1995-10-18 EP claimed
WO-1994014795-A1 QUINAZOLINE DERIVATIVES YUHAN CORPORATION (KR) 1994-07-07 WO claimed
EP-0677049-B1 QUINAZOLINE DERIVATIVES YUHAN CORP LTD (KR) 2001-07-25 EP disclosed
CN-1058265-C Quinazoline derivatives YUHAN CORP (KR) 2000-11-08 CN disclosed
US-5686458-A Quinazoline deriviates for treating peptic ulcer YUHAN CORPORATION (KR) 1997-11-11 US disclosed
EP-0677049-A1 QUINAZOLINE DERIVATIVES YUHAN CORPORATION, LTD. (KR) 1995-10-18 EP disclosed
WO-1994014795-A1 QUINAZOLINE DERIVATIVES YUHAN CORPORATION (KR) 1994-07-07 WO disclosed