SCHEMBL9412007

SCHEMBL9412007

O=C(C=Cc1ccc(O)cc1)NC1CN2CCC1CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.49
MMP2 P08253 2/20 0.49
MMP9 P14780 2/20 0.49
CHRNA7 P36544 3/20 0.48
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
CHRM2 P08172 4/20 0.46
CHRM1 P11229 4/20 0.46
CHRM3 P20309 4/20 0.46
MAPK1 P28482 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 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
SCHEMBL6152751 0.88 CHRNA7 (0.51) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6152576 0.88 CHRNA7 (0.51) MMP1MMP2MMP9CHRNA7HTR3E
SCHEMBL6152637 0.88 CHRNA7 (0.51) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL6152749 0.88 CHRNA7 (0.51) CHRNA7HTR3EHTR3BALOX15TSHR
SCHEMBL5988208 0.88 CHRNA7 (0.62) MMP1MMP2MMP9CHRNA7HTR3E
SCHEMBL6153275 0.88 CHRNA7 (0.51) MMP1MMP2MMP9CHRNA7HTR3E
SCHEMBL5986988 0.88 CHRNA7 (0.51) MMP1MMP2MMP9CHRNA7HTR3E
SCHEMBL5986985 0.88 CHRNA7 (0.51) MMP1MMP2MMP9CHRNA7HTR3E
SCHEMBL6152593 0.88 CHRNA7 (0.62) MMP1MMP2MMP9CHRNA7HTR3E
SCHEMBL6152636 0.88 CHRNA7 (0.51) CHRNA7HTR3EHTR3BALOX15TSHR

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-0581165-A2 Acrylamide derivatives as antirussive agent DOMPE' FARMACEUTICI S.p.A. (IT) 1994-02-02 EP disclosed