SCHEMBL1758237

SCHEMBL1758237

O=C1c2ccccc2CC1c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
ALDH1A1 P00352 3/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
ACHE P22303 4/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP19A1 P11511 3/20 0.45
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
METAP1 P53582 4/20 0.41

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
SCHEMBL9148202 0.84 CYP19A1 (0.61) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL5951808 0.77 ALDH1A1 (0.47) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL5952116 0.77 ALDH1A1 (0.41) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL19772724 0.73 MEN1 (0.58) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL11683527 0.73 CYP19A1 (0.60) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL4169374 0.73 ADRA1A (0.55) MAPTKMT2AACHECYP19A1KDM4E
SCHEMBL2345374 0.73 ACHE (0.55) MAPTACHEMAPK1CYP19A1METAP1
SCHEMBL30785363 0.73 ACHE (0.55) MAPTACHEMAPK1CYP19A1METAP1
SCHEMBL31751995 0.71 CYP19A1 (0.59) MAPTKMT2AACHECYP19A1KDM4E
SCHEMBL29510831 0.71 RAB9A (1.00) MAPTALDH1A1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011051957-A2 A PROCESS FOR THE PREPARATION OF DONEPEZIL HYDROCHLORIDE NEULAND LABORATORIES LTD. (IN) 2011-05-05 WO disclosed