SCHEMBL7102852

SCHEMBL7102852

N=C(N)c1ccc(CN2CC(Oc3ccccc3)C[C@H]2C(=O)NC(=O)[C@H]2CCCCN2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.40
KCNH2 Q12809 2/20 0.40
F2 P00734 11/20 0.38
MASP2 O00187 3/20 0.38
BACE1 P56817 1/20 0.38
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
FURIN P09958 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
CTSC P53634 1/20 0.36
F10 P00742 1/20 0.36
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
PLAT P00750 1/20 0.35
KLKB1 P03952 1/20 0.35
PRSS1 P07477 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 2/20 0.34

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
Hydrochloric Acid SCHEMBL7145270 0.99 OPRK1 (0.40) OPRK1KCNH2F2MASP2BACE1
SCHEMBL7106700 0.86 F2 (0.39) F2MASP2PLGPRSS1
SCHEMBL7105021 0.80 F2 (0.49) F2
Hydrochloric Acid SCHEMBL7147052 0.80 F2 (0.51) F2
Hydrochloric Acid SCHEMBL7379102 0.67 PLG (0.39) F2F10PLGPLATPRSS1
SCHEMBL8809131 0.66 HTR2C (0.64) F2MASP2HTR2CHTR2BHDAC3
SCHEMBL7144656 0.66 F2 (0.45) F2PLGPRSS1
Hydrochloric Acid SCHEMBL8702542 0.66 F2 (0.42) F2MASP2CTSC
Hydrochloric Acid SCHEMBL5900833 0.65 HTR2C (0.62) F2MASP2HTR2CHTR2BHDAC3
Hydrochloric Acid SCHEMBL5900838 0.65 HTR2C (0.62) F2MASP2HTR2CHTR2BHDAC3

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-0672658-B1 Antithrombotic agents ASTRAZENECA AB (SE) 2003-09-17 EP claimed