SCHEMBL8032422

SCHEMBL8032422

C=C(/C=C1C(=C/C)\OCC\12CCN(C(=O)c1ccc(NC(=O)Cn3cnc4ccccc43)cc1)CC2)CN

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
HTT P42858 2/20 0.42
MGLL Q99685 1/20 0.41
LMNA P02545 2/20 0.40
F2 P00734 2/20 0.38
F10 P00742 2/20 0.38
PRSS1 P07477 1/20 0.38
ORAI1 Q96D31 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.36
USP7 Q93009 1/20 0.35

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
SCHEMBL2111402 0.77 PRSS1 (0.51) SMN1; SMN2HTTPRSS1
SCHEMBL2109971 0.64 PRSS1 (0.56) PRSS1USP7
SCHEMBL22246554 0.64 SMN1; SMN2 (0.69) SMN1; SMN2HTTMGLLLMNAF2
SCHEMBL1038642 0.64 MGLL (0.70) SMN1; SMN2HTTMGLLLMNAF2
SCHEMBL1036975 0.64 SMN1; SMN2 (0.68) SMN1; SMN2HTTMGLLLMNAF2
SCHEMBL23867518 0.63 SMN1; SMN2 (0.52) SMN1; SMN2HTTMGLLLMNAORAI1
SCHEMBL3042348 0.63 SMN1; SMN2 (0.67) SMN1; SMN2HTTMGLLLMNAF2
SCHEMBL2898158 0.62 AVPR2 (0.50) SMN1; SMN2HTTMGLLLMNAORAI1
SCHEMBL27645591 0.59 SMN1; SMN2 (0.78) SMN1; SMN2HTTMGLLLMNAF2
SCHEMBL1037100 0.59 SMN1; SMN2 (0.61) SMN1; SMN2HTTMGLLLMNAF2

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
WO-2009067202-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-28 WO disclosed