SCHEMBL3919067

SCHEMBL3919067

O=C(N[C@@H](Cc1ccccc1)C(=O)O)OCc1ccccc1.O=C(O)[C@@H]1C[C@H]2CCC[C@H]2N1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 10/20 0.51
▸ ITGA2B P08514 10/20 0.51
▸ ITGAV P06756 1/20 0.50
▸ ACE P12821 1/20 0.48
▸ CTSL P07711 1/20 0.48
▸ EED O75530 1/20 0.46
▸ TACR1 P25103 2/20 0.46
▸ KDM1A O60341 3/20 0.46
▸ MAOA P21397 2/20 0.46
▸ KDM1B Q8NB78 1/20 0.46
▸ RCOR1 Q9UKL0 1/20 0.46

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
SCHEMBL10761203 0.83 EED (0.60) ACEEED
SCHEMBL10760562 0.83 EED (0.52) ACEEEDTACR1
SCHEMBL10765164 0.81 EED (0.63) ACEEED
Proline SCHEMBL6973669 0.81 ITGB3 (0.57) ITGB3ITGA2BITGAVACECTSL
Proline SCHEMBL4598604 0.81 ITGB3 (0.57) ITGB3ITGA2BITGAVACECTSL
SCHEMBL26624221 0.79 TSHR (0.46) EEDKDM1AMAOA
Hypochlorous Acid SCHEMBL7368156 0.78 TACR1 (0.65) ITGB3ITGA2BCTSLTACR1
SCHEMBL219151 0.78 TACR1 (0.68) ITGB3ITGA2BCTSLTACR1
SCHEMBL220648 0.78 TACR1 (0.68) ITGB3ITGA2BCTSLTACR1
SCHEMBL7372270 0.78 TACR1 (0.68) ITGB3ITGA2BCTSLTACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1861368-B1 PROCESS FOR THE PREPARATION OF 2-AZABICYCLOÝ3.3.0¨OCTANE-3-CARBOXYLIC ACID DERIVATIVES EVONIK DEGUSSA GMBH (DE) 2009-02-18 — — EP disclosed
EP-1861368-A1 PROCESS FOR THE PREPARATION OF 2-AZABICYCLOÝ3.3.0¨OCTANE-3-CARBOXYLIC ACID DERIVATIVES Evonik Degussa GmbH (DE) 2007-12-05 — — EP disclosed
WO-2006100168-A1 PROCESS FOR THE PREPARATION OF 2-AZABICYCLO[3.3.0]OCTANE-3-CARBOXYLIC ACID DERIVATIVES DEGUSSA GMBH (DE) 2006-09-28 — — WO disclosed
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