SCHEMBL8568438

SCHEMBL8568438

COC1CNc2ccccc2C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
EPHX2 P34913 1/20 0.46
IDO1 P14902 2/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK1 P28482 3/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
AR P10275 1/20 0.34

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
SCHEMBL8568440 1.00 MTNR1A (0.48) MTNR1AMTNR1BEPHX2IDO1BRD4
SCHEMBL8568444 1.00 MTNR1A (0.48) MTNR1AMTNR1BEPHX2IDO1BRD4
SCHEMBL8564374 0.82 MTNR1A (0.46) MTNR1AMTNR1BEPHX2IDO1BRD4
SCHEMBL8564379 0.82 MTNR1A (0.46) MTNR1AMTNR1BEPHX2IDO1BRD4
SCHEMBL8564381 0.82 MTNR1A (0.46) MTNR1AMTNR1BEPHX2IDO1BRD4
SCHEMBL7415028 0.81 MTNR1A (0.48) MTNR1AMTNR1BEPHX2IDO1BRD4
SCHEMBL7415031 0.81 MTNR1A (0.48) MTNR1AMTNR1BEPHX2IDO1BRD4
SCHEMBL8570073 0.80 MTNR1A (0.42) MTNR1AMTNR1BEPHX2IDO1BRD4
SCHEMBL8570063 0.80 MTNR1A (0.42) MTNR1AMTNR1BEPHX2IDO1BRD4
SCHEMBL8570067 0.80 MTNR1A (0.48) MTNR1AMTNR1BEPHX2IDO1BRD4

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