SCHEMBL8191997

SCHEMBL8191997

N[C@@H](Cc1ccccc1)C(=O)N1CCCC1CN[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.61
DPP8 Q6V1X1 3/20 0.61
DPP9 Q86TI2 3/20 0.61
DPP7 Q9UHL4 3/20 0.61
FAP Q12884 2/20 0.61
F2 P00734 3/20 0.52
PRSS1 P07477 1/20 0.52
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
TACR1 P25103 1/20 0.51

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
SCHEMBL8202019 0.85 ALDH1A1 (0.49) DPP4DPP8DPP9DPP7FAP
SCHEMBL6164069 0.82 DPP4 (0.67) DPP4DPP8DPP9DPP7FAP
SCHEMBL31412199 0.80 OPRM1 (0.66) OPRM1OPRD1
SCHEMBL30833622 0.80 OPRM1 (0.66) OPRM1OPRD1
SCHEMBL29702054 0.80 OPRM1 (0.66) OPRM1OPRD1
SCHEMBL9076481 0.80 DPP4 (0.58) DPP4DPP8DPP9DPP7FAP
SCHEMBL9076485 0.80 DPP4 (0.58) DPP4DPP8DPP9DPP7FAP
SCHEMBL9075661 0.79 DPP4 (0.54) DPP4DPP8DPP9DPP7FAP
SCHEMBL9414137 0.79 DPP4 (0.54) DPP4DPP8DPP9DPP7FAP
SCHEMBL9075665 0.79 DPP4 (0.54) DPP4DPP8DPP9DPP7FAP

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
US-6090786-A HALOPYRROLE AMIDATED AMINO ACID USEFUL FOR INHIBITING SERINE PROTEASE ACTIVITY FONDATECH BENELUX N.V. (BE) 2000-07-18 US disclosed