SCHEMBL8564553

SCHEMBL8564553

NC[C@H]1CNc2ccccc2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 4/20 0.39
EPHX2 P34913 1/20 0.39
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP19A1 P11511 1/20 0.37
IDO1 P14902 1/20 0.37
HTR2A P28223 3/20 0.36
RET P07949 1/20 0.36
HTR2C P28335 1/20 0.36
HRH1 P35367 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35

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
SCHEMBL469010 1.00 MTNR1A (0.55) MTNR1AMTNR1BMEN1KMT2ASLC6A2
SCHEMBL30576519 1.00 MTNR1A (0.55) MTNR1AMTNR1BMEN1KMT2ASLC6A2
SCHEMBL8564551 1.00 MTNR1A (0.55) MTNR1AMTNR1BMEN1KMT2ASLC6A2
SCHEMBL13305786 0.86 MTNR1A (0.52) MTNR1AMTNR1BMEN1KMT2ASLC6A2
SCHEMBL11639091 0.82 MTNR1A (0.42) MTNR1AMTNR1BMEN1KMT2AALOX15
SCHEMBL7422361 0.81 MTNR1A (0.59) MTNR1AMTNR1BMEN1KMT2AEPHX2
SCHEMBL16353622 0.81 MTNR1A (0.59) MTNR1AMTNR1BMEN1KMT2AEPHX2
SCHEMBL7422364 0.81 MTNR1A (0.59) MTNR1AMTNR1BMEN1KMT2AEPHX2
SCHEMBL2036744 0.81 MTNR1A (0.59) MTNR1AMTNR1BMEN1KMT2AEPHX2
SCHEMBL28138448 0.81 MTNR1A (0.55) MTNR1AMTNR1BMEN1KMT2AEPHX2

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