SCHEMBL30804496

SCHEMBL30804496

CC(C)C[C@H](NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.60
▸ OPRD1 P41143 5/20 0.58
▸ OPRM1 P35372 3/20 0.58
▸ CTSB P07858 1/20 0.55
▸ ACE P12821 1/20 0.53
▸ NPY1R P25929 1/20 0.53
▸ NPY2R P49146 1/20 0.53
▸ NPY4R P50391 1/20 0.53
▸ IL1RN P18510 1/20 0.51
▸ ERAP2 Q6P179 1/20 0.51
▸ OPRK1 P41145 1/20 0.51

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
SCHEMBL10520794 0.92 FOLH1 (0.67) FOLH1OPRD1OPRM1ACENPY1R
SCHEMBL29658002 0.89 OPRD1 (0.56) OPRD1OPRM1CTSBNPY1RNPY4R
SCHEMBL31257018 0.89 OPRD1 (0.60) FOLH1OPRD1OPRM1OPRK1
SCHEMBL9332741 0.89 ACE (0.54) FOLH1OPRD1OPRM1ACEOPRK1
SCHEMBL9332730 0.89 ACE (0.54) FOLH1OPRD1OPRM1ACEOPRK1
SCHEMBL29789592 0.88 CTSB (0.64) OPRD1OPRM1CTSBACEOPRK1
SCHEMBL30396564 0.88 ACE (0.63) FOLH1OPRD1OPRM1CTSBACE
SCHEMBL29993603 0.87 ACE (0.53) FOLH1OPRD1OPRM1ACEOPRK1
SCHEMBL31256940 0.87 OPRD1 (0.69) OPRD1OPRM1NPY1RNPY2RNPY4R
SCHEMBL29994216 0.87 OPRD1 (0.58) FOLH1OPRD1OPRM1CTSBACE

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-117462693-A XTEN conjugate compositions and methods of making the same 阿穆尼克斯运营公司 2024-01-30 — — CN disclosed
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