SCHEMBL7104974

SCHEMBL7104974

Nc1ccc(CCN2CCC[C@H]2C(=O)NC(=O)[C@H](N)Cc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ACE P12821 1/20 0.45
F2 P00734 2/20 0.45
DPP4 P27487 4/20 0.42
DPP8 Q6V1X1 3/20 0.42
DPP9 Q86TI2 3/20 0.42
DPP7 Q9UHL4 3/20 0.42
FAP Q12884 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LTA4H P09960 2/20 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
SCHEMBL7107001 0.90 CCR4 (0.49) ACEF2DPP4DPP8DPP9
SCHEMBL11092917 0.86 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2ACEF2LTA4H
Hydrochloric Acid SCHEMBL11098579 0.85 ACE (0.46) ALDH1A1SMN1; SMN2ACEF2
SCHEMBL7102501 0.82 F2 (0.49) ACEF2DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL6920199 0.80 ACE (0.46) SMN1; SMN2ACEF2DPP4DPP8
SCHEMBL7378023 0.80 HRH3 (0.49) ALDH1A1SMN1; SMN2DPP4DPP8DPP9
SCHEMBL7148741 0.78 F2 (0.61) ACEF2NPSR1
SCHEMBL7101554 0.78 F2 (0.48) ACEF2DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL7147488 0.78 F2 (0.63) ACEF2NPSR1
SCHEMBL7102911 0.77 F2 (0.53) ACEF2NPSR1

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