SCHEMBL8569794

SCHEMBL8569794

COCC[C@H]1CNc2ccccc2C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
IDO1 P14902 1/20 0.42
EPHX2 P34913 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
AKR1C3 P42330 1/20 0.33
CYP19A1 P11511 2/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL8569790 1.00 MTNR1A (0.52) MTNR1AMTNR1BIDO1EPHX2MEN1
SCHEMBL8568454 0.91 MTNR1A (0.50) MTNR1AMTNR1BIDO1EPHX2MEN1
SCHEMBL8561678 0.84 MTNR1A (0.55) MTNR1AMTNR1BIDO1EPHX2MEN1
SCHEMBL7418106 0.84 MTNR1A (0.55) MTNR1AMTNR1BIDO1EPHX2MEN1
SCHEMBL7418105 0.84 MTNR1A (0.55) MTNR1AMTNR1BIDO1EPHX2MEN1
SCHEMBL8568800 0.84 MTNR1A (0.49) MTNR1AMTNR1BIDO1EPHX2MEN1
SCHEMBL13313179 0.79 IDO1 (0.63) IDO1AKR1C3CYP19A1GAA
SCHEMBL8562997 0.79 MTNR1A (0.50) MTNR1AMTNR1BIDO1EPHX2MEN1
SCHEMBL8562991 0.79 MTNR1A (0.50) MTNR1AMTNR1BIDO1EPHX2MEN1
SCHEMBL13305786 0.79 MTNR1A (0.52) MTNR1AMTNR1BIDO1EPHX2MEN1

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