SCHEMBL8562992

SCHEMBL8562992

COC(OC)[C@H]1CNc2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 4/20 0.32
HTR5A P47898 1/20 0.30

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
SCHEMBL8568797 0.88 MTNR1A (0.39) EPHX2MTNR1AMTNR1BSLC6A2SLC6A4
SCHEMBL8569796 0.85 EPHX2 (0.42) EPHX2MTNR1AMTNR1BSLC6A2SLC6A4
SCHEMBL8569787 0.85 EPHX2 (0.42) EPHX2MTNR1AMTNR1BSLC6A2SLC6A4
SCHEMBL12610368 0.81 MTNR1A (0.44) EPHX2MTNR1AMTNR1BBRD4CREBBP
SCHEMBL29332740 0.81 MTNR1A (0.44) EPHX2MTNR1AMTNR1BBRD4CREBBP
SCHEMBL881106 0.81 MTNR1A (0.44) EPHX2MTNR1AMTNR1BBRD4CREBBP
SCHEMBL7685258 0.78 IDO1 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL8568438 0.74 MTNR1A (0.48) EPHX2MTNR1AMTNR1BBRD4CREBBP
SCHEMBL8568440 0.74 MTNR1A (0.48) EPHX2MTNR1AMTNR1BBRD4CREBBP
SCHEMBL8568444 0.74 MTNR1A (0.48) EPHX2MTNR1AMTNR1BBRD4CREBBP

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