SCHEMBL6065199

SCHEMBL6065199

Cc1ccc2c(N3CCN(C(=O)OCC(C)C)CC3)c(F)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ATM Q13315 1/20 0.42
HTT P42858 2/20 0.40
MAPT P10636 6/20 0.40
ALOX15 P16050 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NPC1 O15118 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
IDE P14735 1/20 0.39
KIT P10721 1/20 0.39
GAA P10253 2/20 0.39
ALOX12 P18054 1/20 0.39
FFAR4 Q5NUL3 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL2885736 0.82 MAP4K4 (0.45) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL6065302 0.81 CYP2C9 (0.51) MEN1KMT2AMAPTALDH1A1IDE
SCHEMBL10993467 0.72 SCN9A (0.37) KMT2AATMSCN9A
SCHEMBL4010098 0.71 MAPT (0.49) MEN1KMT2AMAPTALOX15ALDH1A1
SCHEMBL2885042 0.71 NCF1 (0.48) KMT2AALDH1A1HPGDLMNATSHR
SCHEMBL5257865 0.70 IDE (0.45) MEN1KMT2AATMHTTMAPT
SCHEMBL3641965 0.70 KIT (0.48) MEN1KMT2AHTTMAPTALOX15
SCHEMBL11160876 0.69 MEN1 (0.52) MEN1KMT2AATMMAPTALOX15
SCHEMBL1084975 0.69 MEN1 (0.42) MEN1KMT2AATMHTTMAPT
SCHEMBL1084835 0.69 MEN1 (0.42) MEN1KMT2AATMHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646613-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2006-04-19 EP disclosed
WO-2005014552-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2005-02-17 WO disclosed