SCHEMBL13973370

SCHEMBL13973370

N=C1CCC(C(=O)Nc2cccc(Oc3ccccc3)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.55
MTNR1B P49286 2/20 0.55
F13A1 P00488 1/20 0.54
TGM2 P21980 1/20 0.54
MGLL Q99685 1/20 0.53
RHOA P61586 1/20 0.52
GAA P10253 2/20 0.51
MITF O75030 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
PKM P14618 1/20 0.51
LIMK2 P53671 1/20 0.49
F10 P00742 1/20 0.49
ABL1 P00519 1/20 0.49
EPHX2 P34913 1/20 0.49
KDR P35968 2/20 0.48
BRAF P15056 1/20 0.48
RECQL P46063 1/20 0.48

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
SCHEMBL28212694 0.76 MTNR1A (0.72) MTNR1AMTNR1BF13A1TGM2GAA
SCHEMBL12882777 0.75 MTNR1A (0.53) MTNR1AMTNR1BF13A1TGM2MGLL
SCHEMBL13203761 0.75 MTNR1A (0.53) MTNR1AMTNR1BF13A1TGM2MGLL
SCHEMBL10113212 0.75 MTNR1A (0.53) MTNR1AMTNR1BF13A1TGM2MGLL
SCHEMBL6392968 0.74 MITF (0.69) F13A1TGM2MITFALDH1A1POLB
SCHEMBL10114019 0.74 MTNR1A (0.52) MTNR1AMTNR1BF13A1TGM2MGLL
SCHEMBL4720318 0.74 MTNR1A (0.82) MTNR1AMTNR1BMGLLGAAALDH1A1
SCHEMBL14433478 0.73 F10 (0.58) MGLLPOLBHTTLIMK2F10
SCHEMBL345624 0.73 MTNR1A (0.51) MTNR1AMTNR1BGAAALDH1A1HTT
SCHEMBL19494423 0.73 MTNR1A (0.64) MTNR1AMTNR1BGAAPOLBHTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 EP disclosed