SCHEMBL29750784

SCHEMBL29750784

NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.45
▸ CTRB1 P17538 1/20 0.45
▸ F2 P00734 6/20 0.44
▸ NTMT1 Q9BV86 1/20 0.43
▸ PRCP P42785 1/20 0.43
▸ FDFT1 P37268 1/20 0.43
▸ MDM2 Q00987 5/20 0.42
▸ TLR2 O60603 1/20 0.41
▸ PLG P00747 1/20 0.40
▸ OPRM1 P35372 1/20 0.40

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
SCHEMBL29777648 0.97 ACE (0.49) ACECTRB1F2NTMT1PRCP
SCHEMBL29566581 0.94 CTRB1 (0.46) ACECTRB1F2PRCPFDFT1
SCHEMBL29777638 0.91 ACE (0.47) ACEF2NTMT1PRCPTLR2
SCHEMBL30585183 0.89 CTRB1 (0.45) CTRB1F2PRCPFDFT1TLR2
SCHEMBL29858987 0.89 CTRB1 (0.46) CTRB1F2PRCPFDFT1TLR2
SCHEMBL29777748 0.88 ACE (0.45) ACEF2NTMT1PRCPTLR2
SCHEMBL29777548 0.88 TLR2 (0.44) CTRB1F2NTMT1PRCPTLR2
SCHEMBL29561678 0.88 CTRB1 (0.42) CTRB1F2PRCPFDFT1MDM2
SCHEMBL29749447 0.88 CTRB1 (0.48) CTRB1F2FDFT1
SCHEMBL29706288 0.87 CTRB1 (0.55) CTRB1F2FDFT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116333053-A Atosiban and method for inhibiting formation of polymeric impurities 海南中和药业股份有限公司 2023-06-27 — — CN claimed
CN-111393508-B Preparation method of atosiban 上海苏豪逸明制药有限公司 2023-05-12 — — CN claimed
CN-115038711-B Synthesis method of atosiban 湖北健翔生物制药有限公司 2023-05-02 — — CN claimed
CN-115038711-A Synthetic method of atosiban 湖北健翔生物制药有限公司 2022-09-09 — — CN claimed
WO-2022141615-A1 SYNTHESIS METHOD FOR ATOSIBAN 湖北健翔生物制药有限公司 2022-07-07 — — WO claimed
CN-114685614-B Solid-phase synthesis method of atosiban 湖北健翔生物制药有限公司 2024-07-12 — — CN disclosed
CN-116333053-A Atosiban and method for inhibiting formation of polymeric impurities 海南中和药业股份有限公司 2023-06-27 — — CN disclosed
CN-111393508-B Preparation method of atosiban 上海苏豪逸明制药有限公司 2023-05-12 — — CN disclosed
CN-115038711-B Synthesis method of atosiban 湖北健翔生物制药有限公司 2023-05-02 — — CN disclosed
CN-115038711-B Synthesis method of atosiban 湖北健翔生物制药有限公司 2023-05-02 — — CN disclosed
CN-115461355-A Method for preparing atosiban 厦门胜泽泰医药科技有限公司 2022-12-09 — — CN disclosed
CN-115038711-A Synthetic method of atosiban 湖北健翔生物制药有限公司 2022-09-09 — — CN disclosed
CN-115038711-A Synthetic method of atosiban 湖北健翔生物制药有限公司 2022-09-09 — — CN disclosed
WO-2022141615-A1 SYNTHESIS METHOD FOR ATOSIBAN 湖北健翔生物制药有限公司 2022-07-07 — — WO disclosed
WO-2022141615-A1 SYNTHESIS METHOD FOR ATOSIBAN 湖北健翔生物制药有限公司 2022-07-07 — — WO disclosed
CN-114685614-A Solid-phase synthesis method of atosiban 湖北健翔生物制药有限公司 2022-07-01 — — CN disclosed
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