SCHEMBL8637498

SCHEMBL8637498

COc1cc2c(cc1N)OCC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.40
ERN1 O75460 1/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 1/20 0.39
DYRK1A Q13627 1/20 0.38
CYP3A4 P08684 5/20 0.38
PRKCI P41743 1/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
S100B P04271 1/20 0.35

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
SCHEMBL9110788 0.81 ALDH1A1 (0.51) POLBL3MBTL1GAAMAPTLMNA
SCHEMBL2460910 0.79 KDM4E (0.44) POLBGAAMAPTLMNAALDH1A1
SCHEMBL9086137 0.79 ERN1 (0.46) ERN1HTR2A
SCHEMBL5722666 0.79 HTR2C (0.50) ERN1MAPTCYP3A4MEN1KMT2A
SCHEMBL12438576 0.78 DYRK1A (0.46) ERN1MAPTALDH1A1KDM4EDYRK1A
SCHEMBL26365520 0.76 GAA (0.40) POLBGAAERN1MAPTALDH1A1
SCHEMBL10951923 0.76 CYP1A2 (0.44) MAPTDYRK1ACYP3A4PRKCIPKM
SCHEMBL24750247 0.76 MAPT (0.49) GAAERN1MAPTLMNAALDH1A1
SCHEMBL31694826 0.76 MAPT (0.49) GAAERN1MAPTLMNAALDH1A1
SCHEMBL30665872 0.75 HTR2A (0.50) ERN1MEN1KMT2AHTR2AHTR2C

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-5753662-A TREATING DOPAMINERGIC SYSTEM DISORDERS ADIR ET COMPAGNIE (FR) 1998-05-19 US disclosed
US-5684020-A ANTIPSYCHOTICS, ANTIDEPRESSANTS, TREATMENT OF DYSFUNCTION OF DOPAMINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1997-11-04 US disclosed
EP-0745598-A1 Piperazine, piperidine and 1,2,5,6-tetrahydropyridine derivatives, proces for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-12-04 EP disclosed