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SCHEMBL29967012

SCHEMBL29967012

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 20/20 0.68
▸ NTSR2 O95665 19/20 0.68
▸ SORT1 Q99523 16/20 0.68

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
SCHEMBL2039240 1.00 NTSR1 (0.68) NTSR1NTSR2SORT1
SCHEMBL30921554 0.95 SLC6A2 (0.67) NTSR1NTSR2SORT1
SCHEMBL2039247 0.95 NTSR1 (0.69) NTSR1NTSR2SORT1
SCHEMBL29860392 0.94 NTSR1 (0.64) NTSR1NTSR2SORT1
SCHEMBL30637760 0.94 NTSR1 (0.64) NTSR1NTSR2SORT1
SCHEMBL19220695 0.93 NTSR1 (0.63) NTSR1NTSR2SORT1
SCHEMBL29580406 0.93 NTSR1 (0.63) NTSR1NTSR2SORT1
SCHEMBL30092566 0.90 NTSR1 (0.59) NTSR1NTSR2SORT1
SCHEMBL30584176 0.90 NTSR1 (0.66) NTSR1NTSR2SORT1
SCHEMBL31694383 0.90 NTSR1 (0.68) NTSR1NTSR2SORT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11903993-B2 Ready-to-use bivalirudin compositions MAIA Pharmaceuticals, Inc. (US) 2024-02-20 — — US disclosed
US-20230293626-A1 READY-TO-USE BIVALIRUDIN COMPOSITIONS MAIA Pharmaceuticals, Inc. 2023-09-21 — — US disclosed
US-20230210938-A1 READY-TO-USE BIVALIRUDIN COMPOSITIONS MAIA Pharmaceuticals, Inc. 2023-07-06 — — US disclosed
US-11643439-B2 Multi-target compound with anticoagulation and antiplatelet activity, preparation method therefor, and use thereof SHAANXI MICOT TECHNOLOGY LIMITED COMPANY (CN) 2023-05-09 — — US disclosed
CN-113773369-B Multi-target compound with anticoagulant and antiplatelet activity, preparation method and application 陕西麦科奥特科技有限公司 2022-11-08 — — CN disclosed
CN-113201049-B Multi-target compound with anticoagulant and antiplatelet activity, preparation method and application 陕西麦科奥特科技有限公司 2022-10-04 — — CN disclosed
CN-113201048-B Multi-target compound with anticoagulant and antiplatelet activity, preparation method and application 陕西麦科奥特科技有限公司 2022-10-04 — — CN disclosed