SCHEMBL17287126

SCHEMBL17287126

CCCCOC(=O)[C@@H](C)NC(=O)C1CCCN1C(=O)C(Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)C(Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)C(CCCNC(=N)N)NC(=O)CN(C)C(=O)OCc1ccccc1)C(C)C)C(C)CC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.51
▸ APLNR P35414 1/20 0.51
▸ AGTR1 P30556 3/20 0.50
▸ EPHA2 P29317 2/20 0.49
▸ AGTR2 P50052 1/20 0.48
▸ F2 P00734 4/20 0.47
▸ CALCR P30988 1/20 0.47
▸ NTSR1 P30989 1/20 0.46
▸ GLP1R P43220 1/20 0.46
▸ SLC40A1 Q9NP59 1/20 0.46
▸ IL23R Q5VWK5 1/20 0.46
▸ NMUR2 Q9GZQ4 1/20 0.46
▸ NMUR1 Q9HB89 1/20 0.46
▸ CTSL P07711 1/20 0.45
▸ CTSH P09668 1/20 0.45
▸ CTSS P25774 1/20 0.45
▸ CTSK P43235 1/20 0.45

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
SCHEMBL17274190 1.00 C5AR1 (0.51) C5AR1APLNRAGTR1EPHA2AGTR2
SCHEMBL19780604 0.97 C5AR1 (0.52) C5AR1APLNRAGTR1EPHA2AGTR2
SCHEMBL19780600 0.97 C5AR1 (0.52) C5AR1APLNRAGTR1EPHA2AGTR2
SCHEMBL17287131 0.96 AGTR1 (0.51) C5AR1APLNRAGTR1EPHA2AGTR2
SCHEMBL17274223 0.94 AGTR1 (0.49) C5AR1APLNRAGTR1AGTR2F2
SCHEMBL17274210 0.94 AGTR1 (0.49) C5AR1APLNRAGTR1AGTR2F2
SCHEMBL17287128 0.94 AGTR1 (0.49) C5AR1APLNRAGTR1AGTR2F2
SCHEMBL18699989 0.90 AGTR1 (0.51) C5AR1AGTR1AGTR2F2CALCR
SCHEMBL18699890 0.90 C5AR1 (0.49) C5AR1APLNRAGTR1EPHA2AGTR2
SCHEMBL17274224 0.90 C5AR1 (0.46) C5AR1APLNRAGTR1EPHA2AGTR2

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
WO-2015179349-A2 SYNTHESIS OF BETA-ARRESTIN EFFECTORS TREVENA, INC. (US) 2015-11-26 — — WO disclosed
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