SCHEMBL4695907

SCHEMBL4695907

COc1ccc(NC[C@@H](O)[C@@H](N)Cc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.47
FPR2 P25090 1/20 0.47
ALDH1A1 P00352 6/20 0.47
MAPT P10636 5/20 0.47
LTA4H P09960 1/20 0.46
KMT2A Q03164 3/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
CSNK1E P49674 1/20 0.45
MEN1 O00255 2/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
HIF1A Q16665 1/20 0.44
SLC6A4 P31645 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL4689950 0.86 CRHBP (0.49) F2KMT2ARAB9AHIF1A
SCHEMBL4689485 0.85 CSNK1E (0.50) F2MAPTSMN1; SMN2CSNK1EHTT
SCHEMBL4692605 0.85 HTT (0.50) F2ALDH1A1MAPTCSNK1EMAPK1
SCHEMBL3350556 0.83 ANPEP (0.53) F2ALDH1A1LTA4HKMT2ASMN1; SMN2
SCHEMBL4694780 0.82 CSNK1E (0.44) F2ALDH1A1MAPTKMT2ARAB9A
Hydrochloric Acid SCHEMBL5219618 0.82 ANPEP (0.52) F2ALDH1A1LTA4HKMT2ARAB9A
SCHEMBL4694821 0.81 F2 (0.51) F2ALDH1A1MAPTLTA4HRAB9A
SCHEMBL4692213 0.81 CSNK1E (0.45) F2ALDH1A1MAPTKMT2ARAB9A
SCHEMBL3349155 0.81 KDM4E (0.58) ALDH1A1LTA4HKMT2ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL5219220 0.80 ANPEP (0.57) ALDH1A1LTA4HKMT2ASMN1; SMN2MEN1

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
EP-1692143-B1 TRICYCLIC INDOLE HYDROXYETHYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2008-11-12 EP disclosed