SCHEMBL7101554

SCHEMBL7101554

NCc1cccc(CN2CCC[C@H]2C(=O)NC(=O)[C@H](N)Cc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.48
CCR4 P51679 1/20 0.46
ACE P12821 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SPHK1 Q9NYA1 1/20 0.44
HSD11B1 P28845 1/20 0.42
OPRL1 P41146 2/20 0.42
OPRM1 P35372 2/20 0.42
OPRK1 P41145 2/20 0.42
CFD P00746 1/20 0.42
DPP4 P27487 2/20 0.41
DPP8 Q6V1X1 2/20 0.41
DPP9 Q86TI2 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
FAP Q12884 1/20 0.41
CNR2 P34972 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.40
OPRD1 P41143 1/20 0.40

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
SCHEMBL7102501 0.94 F2 (0.49) F2CCR4ACENPSR1SPHK1
SCHEMBL7102911 0.87 F2 (0.53) F2CCR4ACENPSR1SPHK1
SCHEMBL7107001 0.86 CCR4 (0.49) F2CCR4ACENPSR1SPHK1
SCHEMBL6920901 0.83 F2 (0.50) F2
Trifluoroacetic Acid SCHEMBL6925104 0.83 ACE (0.43) F2CCR4ACENPSR1OPRK1
Hydrochloric Acid SCHEMBL6919984 0.82 F2 (0.51) F2ACE
Hydrochloric Acid SCHEMBL6920199 0.82 ACE (0.46) F2CCR4ACENPSR1OPRK1
SCHEMBL7148741 0.82 F2 (0.61) F2CCR4ACENPSR1SPHK1
Hydrochloric Acid SCHEMBL7147488 0.82 F2 (0.63) F2CCR4ACENPSR1SPHK1
Hydrochloric Acid SCHEMBL6926922 0.79 F2 (0.50) F2CCR4ACENPSR1

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