SCHEMBL7368908

SCHEMBL7368908

C[C@H](N)C(=O)NCCc1ccc(OP(=O)(O)O)c(OP(=O)(O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
CARM1 Q86X55 5/20 0.46
PRMT6 Q96LA8 5/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRA2A P08913 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2C P18825 1/20 0.43
DRD1 P21728 1/20 0.43
ADRA1A P35348 1/20 0.43
DRD3 P35462 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.43
CA7 P43166 1/20 0.42

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
SCHEMBL7363469 0.79 POLB (0.57) LMNASMN1; SMN2ALDH1A1TSHRADRB2
SCHEMBL7370487 0.79 SMN1; SMN2 (0.53) SMN1; SMN2CA1CA2
SCHEMBL7364941 0.75 MAPT (0.65) LMNASMN1; SMN2CA1CA2CA9
SCHEMBL28976208 0.75 MAPT (0.65) LMNASMN1; SMN2CA1CA2CA9
SCHEMBL30281537 0.75 MAPT (0.65) LMNASMN1; SMN2CA1CA2CA9
SCHEMBL15970734 0.74 LMNA (0.61) LMNASMN1; SMN2CA1CA2CA9
SCHEMBL7367716 0.74 INPPL1 (0.53) LMNAALDH1A1TSHRADRB2ADRA2A
SCHEMBL17693610 0.74 INPPL1 (0.46) ALDH1A1KMT2A
SCHEMBL12246750 0.73 MAPT (0.60) LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL12299017 0.73 MAPT (0.69) LMNASMN1; SMN2ALDH1A1KMT2A

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-5438047-A Diphosphates of catecholamines and pharmaceutical compositions containing them ZAMBON GROUP S.P.A. (IT) 1995-08-01 US disclosed
EP-0607394-A1 DIPHOSPHATES OF CATECHOLAMINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZAMBON GROUP S.p.A. (IT) 1994-07-27 EP disclosed
WO-1994003461-A1 DIPHOSPHATES OF CATECHOLAMINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZAMBON GROUP S.P.A. (IT) 1994-02-17 WO disclosed