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Sugi Predict / Compounds / SCHEMBL29588486

SCHEMBL29588486

SCHEMBL29588486

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(C)C)[C@@H](C)O

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.65
▸ NPY4R P50391 8/20 0.65
▸ NPY5R Q15761 8/20 0.65
▸ NPY1R P25929 6/20 0.65
▸ TFPI P10646 4/20 0.64
▸ EP300 Q09472 1/20 0.61
▸ HIF1A Q16665 1/20 0.61
▸ KEAP1 Q14145 1/20 0.60
▸ PTH1R Q03431 2/20 0.60
▸ F2 P00734 1/20 0.60
▸ MAPK8 P45983 1/20 0.59
▸ MAPK9 P45984 1/20 0.59
▸ MAPK10 P53779 1/20 0.59
▸ KDM1A O60341 1/20 0.59

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
SCHEMBL30495738 0.95 NPY2R (0.61) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182651 0.95 NPY2R (0.61) NPY2RNPY4RNPY5RNPY1RTFPI
Cathelicidin SCHEMBL29350781 0.94 NPY2R (0.65) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182472 0.93 NPY2R (0.66) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31544752 0.92 TFPI (0.60) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31336977 0.92 TFPI (0.64) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31183026 0.92 NPY2R (0.64) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182783 0.92 CALCR (0.63) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29349981 0.92 NPY2R (0.70) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29509548 0.92 TFPI (0.65) NPY2RNPY4RNPY5RNPY1RTFPI

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117529314-A Pharmaceutical combinations comprising KRAS G12C inhibitors and their use for the treatment of cancer 诺华股份有限公司 2024-02-06 — — CN claimed
CN-119954725-A TEAD inhibitors and uses thereof 医肯纳肿瘤学公司 2025-05-09 — — CN disclosed
CN-118011012-B LL-37-ApoB-100 biomarker and application thereof 中国科学院昆明动物研究所 2025-01-21 — — CN disclosed
CN-119301100-A Novel 1, 2-diaminobenzimidazole derivatives 卡尔那生物科学株式会社 2025-01-10 — — CN disclosed
CN-114466839-B TEAD inhibitors and uses thereof 医肯纳肿瘤学公司 2025-01-07 — — CN disclosed
US-12121578-B2 RSV F/G chimeric vaccine KM BIOLOGICS CO., LTD. (JP) 2024-10-22 — — US disclosed
CN-118011012-A LL-37-ApoB-100 biomarker and application thereof 中国科学院昆明动物研究所 2024-05-10 — — CN disclosed
CN-108473940-B Stable inoculant compositions and methods of producing the same 诺维信生物农业公司 2023-12-08 — — CN disclosed
US-20220111035-A1 RSV F/G CHIMERIC VACCINE KM BIOLOGICS CO., LTD. (JP) 2022-04-14 — — US disclosed
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