SCHEMBL7417133

SCHEMBL7417133

N#Cc1ccc(CCCCNC(=O)[C@@H](CCC(=O)O)NC(=O)CCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.50
MMP3 P08254 2/20 0.50
MMP10 P09238 2/20 0.50
MMP9 P14780 2/20 0.50
MMP8 P22894 2/20 0.50
MMP12 P39900 2/20 0.50
MMP13 P45452 2/20 0.50
GRIA1 P42261 1/20 0.50
MMP14 P50281 1/20 0.50
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
NAMPT P43490 1/20 0.47
HDAC1 Q13547 1/20 0.46
CCKBR P32239 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
SCHEMBL7421065 0.93 ITGB3 (0.55) GRIA1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7421070 0.93 ITGB3 (0.55) GRIA1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7423594 0.86 CTSS (0.55)
SCHEMBL7423600 0.86 CTSS (0.55)
SCHEMBL8995569 0.86 CTSS (0.55)
SCHEMBL8995530 0.84 CTSS (0.46) GRIA1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8995535 0.84 CTSS (0.46) GRIA1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7419011 0.83 CTSS (0.56)
SCHEMBL7419014 0.83 CTSS (0.56)
SCHEMBL8995532 0.83 ITGB3 (0.56) MMP2MMP3MMP10MMP9MMP8

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
US-5424334-A Peptide mimetic compounds useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-06-13 US disclosed
WO-1993012074-A1 PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1993-06-24 WO disclosed