SCHEMBL8562575

SCHEMBL8562575

CCCCC[C@H]1CNc2ccccc2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
IDH1 O75874 1/20 0.39
EPHX2 P34913 1/20 0.38
DRD3 P35462 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
CHRM3 P20309 1/20 0.38
DRD4 P21917 1/20 0.38
PRKCD Q05655 4/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
BRD4 O60885 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
SCHEMBL8562578 1.00 MTNR1A (0.52) MTNR1AMTNR1BMEN1KMT2AIDH1
SCHEMBL8562571 1.00 MTNR1A (0.52) MTNR1AMTNR1BMEN1KMT2AIDH1
SCHEMBL8568454 0.82 MTNR1A (0.50) MTNR1AMTNR1BMEN1KMT2AEPHX2
SCHEMBL7422364 0.82 MTNR1A (0.59) MTNR1AMTNR1BMEN1KMT2AEPHX2
SCHEMBL7422361 0.82 MTNR1A (0.59) MTNR1AMTNR1BMEN1KMT2AEPHX2
SCHEMBL13610207 0.80 MTNR1A (0.46) MTNR1AMTNR1BEPHX2ALDH1A1CYP1A2
SCHEMBL7263051 0.79 IDO1 (0.48) DRD3CHRM2CHRM4CHRM5CHRM1
SCHEMBL13305786 0.79 MTNR1A (0.52) MTNR1AMTNR1BMEN1KMT2AEPHX2
SCHEMBL5539883 0.79 MTNR1A (0.56) MTNR1AMTNR1BMEN1KMT2AEPHX2
SCHEMBL8569794 0.78 MTNR1A (0.52) 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