SCHEMBL1505867

SCHEMBL1505867

CNN[C@@H](Cc1ccc(NC)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.43
MME P08473 5/20 0.42
ACE P12821 4/20 0.42
ACE2 Q9BYF1 4/20 0.42
CPA1 P15085 3/20 0.42
FPR2 P25090 6/20 0.42
ITGB1 P05556 5/20 0.41
ITGA4 P13612 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ITGA2 P17301 1/20 0.40
ITGB7 P26010 1/20 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
SCHEMBL9178006 0.84 MME (0.54) FOLH1MMEACEACE2CPA1
SCHEMBL9178000 0.84 MME (0.54) FOLH1MMEACEACE2CPA1
SCHEMBL27626298 0.83 FOLH1 (0.50) FOLH1MMEACEACE2CPA1
SCHEMBL6776761 0.82 LMNA (0.58) FOLH1MMEACEACE2CPA1
SCHEMBL2777992 0.82 LMNA (0.58) FOLH1MMEACEACE2CPA1
SCHEMBL14864541 0.81 ITGB3 (0.51) FOLH1MMEACEACE2CPA1
SCHEMBL22134279 0.76 FOLH1 (0.47) FOLH1ACEFPR2
SCHEMBL6776262 0.76 SLC7A5 (0.62)
SCHEMBL1807721 0.76 SLC7A5 (0.62)
SCHEMBL1807723 0.76 SLC7A5 (0.62)

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-2491052-A2 OXYTOCIN RECEPTOR AGONISTS Ferring International Center S.A. (CH) 2012-08-29 EP disclosed
WO-2011035330-A2 OXYTOCIN RECEPTOR AGONISTS FERRING INTERNATIONAL CENTER S.A. (CH) 2011-03-24 WO disclosed