SCHEMBL31018602

SCHEMBL31018602

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAGI3 Q5TCQ9 1/20 0.56
▸ RXFP1 Q9HBX9 5/20 0.55
▸ GRPR P30550 1/20 0.53
▸ IL23R Q5VWK5 1/20 0.52
▸ TLR2 O60603 3/20 0.52
▸ CCKBR P32239 6/20 0.52
▸ ECE1 P42892 1/20 0.51
▸ GLP1R P43220 1/20 0.51
▸ MUS81 Q96NY9 1/20 0.51
▸ PRMT1 Q99873 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
SCHEMBL31247979 0.93 CCKBR (0.53) MAGI3RXFP1GRPRIL23RCCKBR
SCHEMBL30342394 0.91 MAGI3 (0.54) MAGI3RXFP1IL23RTLR2CCKBR
SCHEMBL31182529 0.91 MAGI3 (0.59) MAGI3RXFP1GRPRIL23RTLR2
SCHEMBL30265201 0.89 PRMT1 (0.53) MAGI3RXFP1GRPRIL23RCCKBR
SCHEMBL30082892 0.87 CCKBR (0.59) IL23RCCKBRECE1GLP1RMUS81
SCHEMBL29939669 0.86 PRMT1 (0.58) MAGI3GRPRIL23RCCKBRPRMT1
SCHEMBL31482983 0.86 MAGI3 (0.60) MAGI3GRPRIL23RTLR2CCKBR
SCHEMBL31020886 0.86 RXFP1 (0.66) RXFP1TLR2CCKBRECE1GLP1R
SCHEMBL31683350 0.85 CCKBR (0.65) IL23RCCKBRGLP1R
SCHEMBL31121632 0.85 CCKBR (0.57) GRPRCCKBRECE1

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-118510796-A Combinations of relaxin and vasopressin analogues for the treatment of renal disorders or conditions 瑞沃2肾脏公司 2024-08-16 — — CN disclosed
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