SCHEMBL8097845

SCHEMBL8097845

O=C(NCCc1ccc2ccccc2c1)C1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.56
MTNR1B P49286 4/20 0.56
SMN1; SMN2 Q16637 5/20 0.52
NPC1 O15118 1/20 0.52
PKM P14618 1/20 0.52
EPHX2 P34913 1/20 0.52
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 4/20 0.52
LMNA P02545 2/20 0.52
ALOX12 P18054 1/20 0.52
RECQL P46063 1/20 0.52
TSHR P16473 4/20 0.51
HSD17B10 Q99714 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
ALOX15 P16050 1/20 0.51
CASP1 P29466 1/20 0.51

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
SCHEMBL9131926 0.97 MTNR1A (0.56) MTNR1AMTNR1BSMN1; SMN2NPC1PKM
SCHEMBL31176222 0.97 MTNR1A (0.56) MTNR1AMTNR1BSMN1; SMN2NPC1PKM
SCHEMBL9130436 0.94 MTNR1A (0.54) MTNR1AMTNR1BTSHRMEN1KMT2A
SCHEMBL14615541 0.89 SLC6A4 (0.51) MTNR1AMTNR1BSMN1; SMN2ALDH1A1
SCHEMBL8083501 0.86 ERCC1 (0.65) ALDH1A1ALOX12MEN1KMT2AALOX15
SCHEMBL9490611 0.85 MTNR1A (0.64) MTNR1AMTNR1BALDH1A1HSD17B10CYP1A2
SCHEMBL9490284 0.84 MTNR1A (0.65) MTNR1AMTNR1BALDH1A1HSD17B10MEN1
SCHEMBL7439966 0.83 CES2 (0.52) MTNR1AMTNR1BSMN1; SMN2PKMALDH1A1
SCHEMBL9491966 0.82 MTNR1A (0.64) MTNR1AMTNR1BALDH1A1HSD17B10CYP1A2
SCHEMBL13138659 0.81 ALDH1A1 (0.74) SMN1; SMN2NPC1PKMEPHX2RAB9A

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-0792883-B1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-12-20 EP disclosed
EP-0792883-A1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-09-03 EP disclosed