SCHEMBL31718774

SCHEMBL31718774

CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)NC)NC(=O)[C@@H](N)CC(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 5/20 0.58
▸ MMP2 P08253 11/20 0.53
▸ MMP8 P22894 9/20 0.53
▸ MMP1 P03956 8/20 0.53
▸ MMP9 P14780 7/20 0.53
▸ MMP7 P09237 2/20 0.52
▸ ERAP2 Q6P179 1/20 0.50
▸ ADAM10 O14672 1/20 0.49
▸ ADAM12 O43184 1/20 0.49
▸ ADAMTS4 O75173 1/20 0.49
▸ MMP3 P08254 1/20 0.49
▸ MMP12 P39900 1/20 0.49
▸ MMP13 P45452 1/20 0.49
▸ MMP14 P50281 1/20 0.49
▸ MMP15 P51511 1/20 0.49
▸ MMP16 P51512 1/20 0.49
▸ ADAM17 P78536 1/20 0.49
▸ ADAM9 Q13443 1/20 0.49
▸ MMP26 Q9NRE1 1/20 0.49
▸ MMP17 Q9ULZ9 1/20 0.49

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
SCHEMBL31718757 0.94 KISS1R (0.60) KISS1RMMP2MMP8MMP1MMP9
SCHEMBL29872904 0.94 KISS1R (0.59) KISS1RMMP2MMP8MMP1MMP9
SCHEMBL14685608 0.92 KISS1R (0.65) KISS1R
SCHEMBL29657322 0.92 KISS1R (0.65) KISS1R
SCHEMBL29657460 0.91 KISS1R (0.57) KISS1RMMP2MMP8MMP1MMP9
SCHEMBL31718765 0.91 KISS1R (0.67) KISS1R
SCHEMBL30522762 0.86 ECE1 (0.58) KISS1RMMP2MMP8MMP1ERAP2
SCHEMBL28664025 0.85 ECE1 (0.59) KISS1RERAP2
SCHEMBL28664028 0.85 ECE1 (0.59) KISS1RERAP2
SCHEMBL29872703 0.85 KISS1R (0.64) KISS1R

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-3650464-B1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND SHANGPHARMA INNOVATION INC (US) 2025-11-05 — — EP disclosed
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