SCHEMBL7402880

SCHEMBL7402880

CCOC(=O)[C@H]1CC=CCN1C(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 6/20 0.46
▸ DPP8 Q6V1X1 5/20 0.45
▸ DPP9 Q86TI2 5/20 0.45
▸ DPP7 Q9UHL4 5/20 0.45
▸ FAP Q12884 4/20 0.45
▸ HDAC8 Q9BY41 3/20 0.43
▸ TACR1 P25103 1/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ ALPI P09923 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ XIAP P98170 1/20 0.43
▸ SLC7A5 Q01650 1/20 0.43
▸ F2 P00734 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ CACNA1A O00555 1/20 0.39
▸ CACNA2D1 P54289 1/20 0.39
▸ CACNB1 Q02641 1/20 0.39

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
SCHEMBL7508058 0.75 DPP4 (0.61) DPP4DPP8DPP9DPP7FAP
SCHEMBL7381463 0.73 DPP4 (0.55) DPP4DPP8DPP9DPP7FAP
Hydrochloric Acid SCHEMBL6623966 0.73 KDM4E (0.64) HDAC8OPRD1PKM
SCHEMBL14790806 0.71 DPP4 (0.60) DPP4DPP8DPP9DPP7FAP
SCHEMBL30337959 0.71 TSHR (0.63) HDAC8OPRD1
SCHEMBL2908042 0.71 TSHR (0.63) HDAC8OPRD1
SCHEMBL7508784 0.70 DPP4 (0.61) DPP4DPP8DPP9DPP7FAP
SCHEMBL8365666 0.70 DPP4 (0.61) DPP4DPP8DPP9DPP7FAP
SCHEMBL616963 0.70 ALPI (0.61) HDAC8ALPIPKMPTGS1XIAP
SCHEMBL132790 0.70 ALPI (0.61) HDAC8ALPIPKMPTGS1XIAP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728132-A1 ANTITHROMBOTIC AMIDINOPHENYLALANINE AND AMIDINOPYRIDYLALANINE DERIVATIVES PFIZER LTD (GB) 1996-08-28 — — EP disclosed
WO-1995013274-A1 ANTITHROMBOTIC AMIDINOPHENYLALANINE AND AMIDINOPYRIDYLALANINE DERIVATIVES PFIZER LIMITED (GB) 1995-05-18 — — WO disclosed
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