SCHEMBL8568312

SCHEMBL8568312

O=C(O[C@H]1CNc2ccccc2C1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.49
GAA P10253 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
EPHX2 P34913 1/20 0.45
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
MAPT P10636 1/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 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
SCHEMBL8568313 1.00 CHRNA7 (0.49) CHRNA7GAAMEN1KMT2AMTNR1A
SCHEMBL8568310 1.00 CHRNA7 (0.49) CHRNA7GAAMEN1KMT2AMTNR1A
SCHEMBL8086570 0.86 MTNR1A (0.50) GAAMEN1KMT2AMTNR1AMTNR1B
SCHEMBL9036114 0.86 MTNR1A (0.50) GAAMEN1KMT2AMTNR1AMTNR1B
SCHEMBL29073380 0.82 MTNR1A (0.49) GAAMEN1KMT2AMTNR1AMTNR1B
SCHEMBL8562147 0.82 MTNR1A (0.56) GAAKMT2AMTNR1AMTNR1BEPHX2
SCHEMBL8562145 0.82 MTNR1A (0.56) GAAKMT2AMTNR1AMTNR1BEPHX2
SCHEMBL8562150 0.82 MTNR1A (0.56) GAAKMT2AMTNR1AMTNR1BEPHX2
SCHEMBL9035962 0.81 MTNR1A (0.49) GAAKMT2AMTNR1AMTNR1BEPHX2
SCHEMBL9430690 0.80 CHRNA7 (0.53) CHRNA7GAAMEN1KMT2AHTR3E

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
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed
EP-0702004-A2 2,9-diamino- and 2-amino-8-carbamoyl-4-hydroxy-alkanoic acid amid derivatives CIBA-GEIGY AG (CH) 1996-03-20 EP disclosed