SCHEMBL8909153

SCHEMBL8909153

C[CH][C@H](N)Sc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.42
MAOB P27338 1/20 0.42
SLC6A4 P31645 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
MGLL Q99685 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.35
DPP4 P27487 2/20 0.33
F2 P00734 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PKM P14618 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC6A2 P23975 2/20 0.32
TAAR1 Q96RJ0 2/20 0.32
SLC6A3 Q01959 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
CYP2A6 P11509 1/20 0.32
ADORA2A P29274 1/20 0.32

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 SCHEMBL8909771 0.98 MAOA (0.41) MAOAMAOBSLC6A4SMN1; SMN2MAPT
SCHEMBL7581178 0.77 MAOA (0.38) MAOAMAOBSLC6A4SMN1; SMN2MAPT
SCHEMBL1453422 0.74 MAOA (0.39) MAOAMAOBSLC6A4SMN1; SMN2MAPT
SCHEMBL23331965 0.73 MAOA (0.52) MAOAMAOBSLC6A4SMN1; SMN2MAPT
SCHEMBL7362590 0.73 MAOA (0.52) MAOAMAOBSLC6A4SMN1; SMN2MAPT
SCHEMBL11296841 0.73 MAOA (0.47) MAOAMAOBSLC6A4SMN1; SMN2MAPT
SCHEMBL13901175 0.72 MAPT (0.45) MAOAMAOBSLC6A4SMN1; SMN2MAPT
SCHEMBL1455282 0.71 ALDH1A1 (0.39) MAOAMAOBSLC6A4SMN1; SMN2MAPT
SCHEMBL7238679 0.70 MAOA (0.48) MAOAMAOBSLC6A4SMN1; SMN2MAPT
SCHEMBL11081702 0.70 MAOA (0.44) MAOAMAOBSLC6A4SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5672588-A Purine derivatives NOVO NORDISK A/S (DK) 1997-09-30 US disclosed
EP-0603348-A1 PURINE DERIVATIVES NOVO NORDISK A/S (DK) 1994-06-29 EP disclosed
WO-1993023418-A1 PURINE DERIVATIVES NOVO NORDISK A/S (DK) 1993-11-25 WO disclosed