SCHEMBL7516488

SCHEMBL7516488

O=C(CCCCc1cccc2c1OCCO2)NCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.69
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
GAA P10253 1/20 0.52
EPHX2 P34913 1/20 0.49
TRPV1 Q8NER1 5/20 0.48
TSHR P16473 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL7524387 0.82 MTNR1A (1.00) MTNR1A
SCHEMBL7523264 0.81 MTNR1A (0.71) MTNR1A
SCHEMBL7526194 0.80 MTNR1A (0.68) MTNR1AGAATRPV1ALDH1A1
SCHEMBL7526968 0.79 MTNR1A (0.73) MTNR1A
SCHEMBL7520035 0.78 MTNR1A (1.00) MTNR1A
SCHEMBL6649870 0.77 MTNR1A (0.71) MTNR1AMEN1KMT2ASMN1; SMN2
SCHEMBL7520573 0.76 MTNR1A (0.73) MTNR1A
SCHEMBL9080237 0.75 MEN1 (0.83) MEN1KMT2AGAAEPHX2TRPV1
SCHEMBL2942358 0.75 MEN1 (0.96) MEN1KMT2AGAAEPHX2TRPV1
SCHEMBL7523147 0.74 MTNR1A (1.00) MTNR1A

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 3 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
US-5919814-A Heterocyclic compounds ADIR ET COMPAGNIE (FR) 1999-07-06 US disclosed
EP-0873993-A1 Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-10-28 EP disclosed