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Sugi Predict / Compounds / SCHEMBL30805681

SCHEMBL30805681

SCHEMBL30805681

N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 9/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ MC4R P32245 2/20 0.52
▸ GHSR Q92847 2/20 0.52
▸ LTA4H P09960 1/20 0.51
▸ NPY1R P25929 1/20 0.51
▸ NPY2R P49146 1/20 0.51
▸ NPY4R P50391 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
SCHEMBL30919241 0.98 KISS1R (0.55) KISS1RKMT2AMC4RGHSRNPY1R
SCHEMBL30919236 0.98 KISS1R (0.55) KISS1RKMT2AMC4RGHSRNPY1R
SCHEMBL29511119 0.97 MC4R (0.54) KISS1RKMT2AMC4RLTA4H
SCHEMBL29476649 0.97 MC4R (0.54) KISS1RKMT2AMC4RLTA4H
SCHEMBL31206184 0.97 KISS1R (0.55) KISS1RKMT2AMC4RGHSR
SCHEMBL29483776 0.96 ACE (0.55) KMT2A
SCHEMBL29672131 0.95 NPY1R (0.56) KISS1RKMT2AMC4RGHSRLTA4H
SCHEMBL31165850 0.95 ACE (0.54) KISS1RKMT2A
SCHEMBL31165874 0.95 ACE (0.54) KISS1RKMT2A
SCHEMBL31193784 0.95 ACE (0.54) KISS1RKMT2A

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
CN-117642418-A Probes and kit for early diagnosis of diffuse large B cell lymphoma 京东方科技集团股份有限公司 2024-03-01 — — CN claimed
CN-117642418-A Probes and kit for early diagnosis of diffuse large B cell lymphoma 京东方科技集团股份有限公司 2024-03-01 — — CN disclosed
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