SCHEMBL27401877

SCHEMBL27401877

CCCCC(=O)C(N)(CNC(=O)CCNC(=O)CCC1CCNCC1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.41
ITGA2B P08514 14/20 0.41
GNAI3 P08754 4/20 0.40
GNAO1 P09471 4/20 0.40
GNAI1 P63096 4/20 0.40
F2R P25116 5/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL11317564 0.76 GNAI3 (0.43) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL7748720 0.75 ITGB3 (0.57) ITGB3ITGA2B
SCHEMBL27536240 0.73 ITGB3 (0.44) ITGB3ITGA2B
SCHEMBL27385179 0.71 PDE4D (0.38)
SCHEMBL11981542 0.71 ITGB3 (0.46) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL27419936 0.70 ITGB3 (0.41) ITGB3ITGA2B
SCHEMBL7748682 0.70 ITGB3 (0.59) ITGB3ITGA2B
SCHEMBL7753672 0.70 ITGB3 (0.59) ITGB3ITGA2B
SCHEMBL8269740 0.68 FAAH (0.55) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL11439630 0.68 PRCP (0.46) ITGB3ITGA2BGNAI3GNAO1GNAI1

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
CN-1076345-C 2,3-diaminopropionic acid derivative SUMITOMO PHARMA (JP) 2001-12-19 CN disclosed