SCHEMBL7526209

SCHEMBL7526209

O=C(NCCOc1cccc2c1OCCO2)C1CC1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.72
KMT2A Q03164 2/20 0.52
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PKM P14618 1/20 0.47
EPHX2 P34913 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTR1A P08908 5/20 0.44
ALDH1A1 P00352 1/20 0.44
ADRA1A P35348 2/20 0.44
DRD2 P14416 1/20 0.44
SLC6A4 P31645 1/20 0.43
CXCR2 P25025 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL7523679 0.84 MTNR1A (1.00) MTNR1ANPC1RAB9AHTR1AALDH1A1
SCHEMBL7561873 0.81 MTNR1A (1.00) MTNR1ANPC1RAB9AHTR1AADRA1A
SCHEMBL7519527 0.80 MTNR1A (1.00) MTNR1ANPC1RAB9AHTR1AALDH1A1
SCHEMBL7518458 0.79 MTNR1A (0.69) MTNR1ANPC1RAB9AHTR1AALDH1A1
SCHEMBL7521758 0.77 MTNR1A (1.00) MTNR1ANPC1RAB9AHTR1AALDH1A1
SCHEMBL5926589 0.76 MTNR1A (0.69) MTNR1AHTR1AADRA1ADRD2SLC6A4
SCHEMBL7527287 0.75 MTNR1A (0.77) MTNR1ANPC1RAB9AHTR1AADRA1A
SCHEMBL6575956 0.74 MTNR1A (0.58) MTNR1AHTR1AADRA1ADRD2SLC6A4
SCHEMBL8114251 0.74 MTNR1A (0.64) MTNR1AKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6174714 0.73 MTNR1A (0.71) MTNR1AHTR1AADRA1ADRD2SLC6A4

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
EP-0873993-B1 Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2002-02-20 EP disclosed
EP-0873993-A1 Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-10-28 EP disclosed