SCHEMBL6161111

SCHEMBL6161111

Cc1ccc(S(=O)(=O)NC2CCN(C(=O)C(COCc3ccccc3)NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.43
F13A1 P00488 2/20 0.42
TGM2 P21980 2/20 0.42
TGM1 P22735 2/20 0.42
HPN P05981 1/20 0.42
ST14 Q9Y5Y6 1/20 0.42
CCKBR P32239 2/20 0.41
PPARA Q07869 1/20 0.41
CYP3A4 P08684 2/20 0.41
UGCG Q16739 2/20 0.41
GHSR Q92847 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSS P25774 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
SCHEMBL6161113 1.00 P2RX7 (0.43) P2RX7F13A1TGM2TGM1HPN
SCHEMBL6160771 0.88 GHSR (0.52) F13A1TGM2TGM1HPNST14
SCHEMBL6160765 0.88 GHSR (0.52) F13A1TGM2TGM1HPNST14
Trifluoroacetic Acid SCHEMBL6162340 0.85 GHSR (0.49) F13A1TGM2TGM1HPNST14
Trifluoroacetic Acid SCHEMBL6161932 0.85 GHSR (0.49) F13A1TGM2TGM1HPNST14
SCHEMBL6163920 0.83 CYP3A4 (0.46) CCKBRPPARACYP3A4UGCGGHSR
SCHEMBL6163918 0.83 CYP3A4 (0.46) CCKBRPPARACYP3A4UGCGGHSR
SCHEMBL6161524 0.82 CTSS (0.43) CCKBRPPARACYP3A4UGCGGHSR
SCHEMBL6162216 0.80 KCNA1 (0.48) P2RX7CCKBRPPARACYP3A4UGCG
SCHEMBL6162932 0.80 PPARA (0.48) F13A1TGM2TGM1CCKBRPPARA

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
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed