SCHEMBL8866936

SCHEMBL8866936

Nc1ccc(CCC[O])cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.62
MAOB P27338 4/20 0.60
MAOA P21397 2/20 0.52
RECQL P46063 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.46
CYP19A1 P11511 3/20 0.45
HTR2A P28223 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL1994985 0.84 GFER (0.68) GFERMAOBMAOARECQLALDH1A1
SCHEMBL2914010 0.84 GFER (0.77) GFERMAOBMAOARECQLALDH1A1
SCHEMBL12110702 0.84 GFER (0.77) GFERMAOBMAOARECQLALDH1A1
SCHEMBL3111509 0.84 MAOB (0.80) GFERMAOBMAOARECQLALDH1A1
SCHEMBL421341 0.84 GFER (0.77) GFERMAOBMAOARECQLALDH1A1
SCHEMBL4021564 0.81 MAOB (0.76) GFERMAOBMAOARECQLALDH1A1
SCHEMBL4020067 0.81 MAOB (0.76) GFERMAOBMAOARECQLALDH1A1
SCHEMBL12110816 0.81 MAOB (0.76) GFERMAOBMAOARECQLALDH1A1
SCHEMBL4022346 0.81 MAOB (0.76) GFERMAOBMAOARECQLALDH1A1
SCHEMBL20251158 0.81 MAOB (0.76) GFERMAOBMAOARECQLALDH1A1

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
US-5686484-A ANTHELMINTICS, ACARICIDES, INSECTICIDES SANKYO CO., LTD. (JP) 1997-11-11 US disclosed
EP-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed
US-4332809-A ANTIALLERGENS TANABE SEIYAKU CO., LTD. (JP) 1982-06-01 US disclosed