SCHEMBL7102501

SCHEMBL7102501

NCc1ccc(CN2CCC[C@H]2C(=O)NC(=O)[C@H](N)Cc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.49
NPSR1 Q6W5P4 1/20 0.48
SPHK1 Q9NYA1 1/20 0.48
CCR4 P51679 1/20 0.47
ACE P12821 1/20 0.47
OPRL1 P41146 3/20 0.45
OPRM1 P35372 2/20 0.45
OPRK1 P41145 2/20 0.45
DPP4 P27487 2/20 0.43
DPP8 Q6V1X1 2/20 0.43
DPP9 Q86TI2 2/20 0.43
DPP7 Q9UHL4 2/20 0.43
FAP Q12884 1/20 0.43
MMP2 P08253 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
CNR2 P34972 1/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC3 O15379 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
SCHEMBL7101554 0.94 F2 (0.48) F2NPSR1SPHK1CCR4ACE
SCHEMBL7107001 0.92 CCR4 (0.49) F2NPSR1SPHK1CCR4ACE
SCHEMBL7148741 0.88 F2 (0.61) F2NPSR1SPHK1CCR4ACE
Hydrochloric Acid SCHEMBL7147488 0.87 F2 (0.63) F2NPSR1SPHK1CCR4ACE
SCHEMBL6920901 0.85 F2 (0.50) F2
SCHEMBL7102911 0.84 F2 (0.53) F2NPSR1SPHK1CCR4ACE
Trifluoroacetic Acid SCHEMBL6925104 0.84 ACE (0.43) F2NPSR1CCR4ACEOPRK1
Hydrochloric Acid SCHEMBL6919984 0.84 F2 (0.51) F2ACE
Hydrochloric Acid SCHEMBL6920199 0.84 ACE (0.46) F2NPSR1CCR4ACEOPRK1
SCHEMBL7104974 0.82 ALDH1A1 (0.50) F2NPSR1ACEDPP4DPP8

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