SCHEMBL7367716

SCHEMBL7367716

NCCc1ccc(OP(=O)(O)O)c(OP(=O)(O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 7/20 0.53
INPP5A Q14642 3/20 0.53
KDM4E B2RXH2 3/20 0.51
ATM Q13315 1/20 0.51
INPP5B P32019 1/20 0.50
TAAR1 Q96RJ0 4/20 0.49
MAPK1 P28482 3/20 0.49
TSHR P16473 2/20 0.49
LMNA P02545 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
NFKB1 P19838 1/20 0.47
GLA P06280 1/20 0.47
APEX1 P27695 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
AKT1 P31749 1/20 0.46
ADRA2A P08913 2/20 0.43
MAPT P10636 2/20 0.43
DRD2 P14416 2/20 0.43

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
SCHEMBL9156538 0.88 TAAR1 (0.60) INPPL1INPP5AKDM4EATMINPP5B
SCHEMBL9156756 0.87 TSHR (0.61) INPPL1INPP5AKDM4EATMTAAR1
Hydrochloric Acid SCHEMBL9152256 0.85 LMNA (0.62) KDM4EATMTAAR1MAPK1TSHR
SCHEMBL17027965 0.83 BACE1 (0.43) INPPL1INPP5AKDM4EATMINPP5B
SCHEMBL7363469 0.79 POLB (0.57) INPPL1INPP5AKDM4EATMINPP5B
SCHEMBL6431657 0.77 TAAR1 (0.52) INPPL1INPP5AKDM4ETAAR1KMT2A
SCHEMBL9237628 0.75 DRD2 (0.51) KDM4ETSHRCYP3A4NFKB1DRD2
SCHEMBL7368908 0.74 LMNA (0.46) TSHRLMNAKMT2AADRA2ADRD2
SCHEMBL17695712 0.73 SLC7A5 (0.53) INPPL1INPP5AKDM4EMEN1KMT2A
SCHEMBL17693610 0.73 INPPL1 (0.46) INPPL1INPP5AKDM4EINPP5BMEN1

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