SCHEMBL30736101

SCHEMBL30736101

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 3/20 0.60
▸ MMP9 P14780 3/20 0.60
▸ MMP8 P22894 3/20 0.60
▸ GHSR Q92847 2/20 0.60
▸ CCKBR P32239 1/20 0.54
▸ KISS1R Q969F8 2/20 0.52
▸ MMP1 P03956 1/20 0.52
▸ BRS3 P32247 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ NMBR P28336 1/20 0.51
▸ ECE1 P42892 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
SCHEMBL2181464 0.91 ECE1 (0.62) GHSRECE1
SCHEMBL9653545 0.91 ECE1 (0.62) GHSRECE1
SCHEMBL30052260 0.91 GHSR (0.62) MMP2MMP9MMP8GHSRMMP1
SCHEMBL31442345 0.90 GHSR (0.58) MMP2MMP9MMP8GHSRCCKBR
SCHEMBL18308973 0.90 GHSR (0.54) MMP2MMP9MMP8GHSRCCKBR
SCHEMBL31606505 0.88 GHSR (0.65) MMP2MMP9MMP8GHSRECE1
SCHEMBL31442235 0.88 GHSR (0.57) MMP2MMP9MMP8GHSRCCKBR
SCHEMBL29705214 0.88 GHSR (0.54) MMP2MMP9MMP8GHSRKISS1R
SCHEMBL18307555 0.87 GHSR (0.52) MMP2MMP9MMP8GHSRCCKBR
SCHEMBL31391117 0.87 GHSR (0.59) GHSR

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
WO-2023247999-A1 PEPTIDIC PAIN MODULATORS AND METHODS FOR PRODUCING AND USING THE SAME MAINLINE BIOSCIENCES (SHANGHAI) CO., LTD. (CN) 2023-12-28 — — WO claimed
WO-2023247999-A1 PEPTIDIC PAIN MODULATORS AND METHODS FOR PRODUCING AND USING THE SAME MAINLINE BIOSCIENCES (SHANGHAI) CO., LTD. (CN) 2023-12-28 — — WO disclosed
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