SCHEMBL8568643

SCHEMBL8568643

C=CCOC[C@H]1CNc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
EPHX2 P34913 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.33
PRCP P42785 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
CYP19A1 P11511 1/20 0.30
IDO1 P14902 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL8568641 1.00 MTNR1A (0.46) MTNR1AMTNR1BEPHX2MEN1KMT2A
SCHEMBL8568647 1.00 MTNR1A (0.46) MTNR1AMTNR1BEPHX2MEN1KMT2A
SCHEMBL7676484 0.81 ALDH1A1 (0.41) ALDH1A1PRCPOPRM1OPRD1OPRK1
SCHEMBL8562991 0.78 MTNR1A (0.50) MTNR1AMTNR1BEPHX2MEN1KMT2A
SCHEMBL8562997 0.78 MTNR1A (0.50) MTNR1AMTNR1BEPHX2MEN1KMT2A
SCHEMBL7418105 0.77 MTNR1A (0.55) MTNR1AMTNR1BEPHX2MEN1KMT2A
SCHEMBL7418106 0.77 MTNR1A (0.55) MTNR1AMTNR1BEPHX2MEN1KMT2A
SCHEMBL8561678 0.77 MTNR1A (0.55) MTNR1AMTNR1BEPHX2MEN1KMT2A
SCHEMBL8568800 0.77 MTNR1A (0.49) MTNR1AMTNR1BEPHX2MEN1KMT2A
SCHEMBL28138448 0.75 MTNR1A (0.55) MTNR1AMTNR1BEPHX2MEN1KMT2A

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