SCHEMBL29777548

SCHEMBL29777548

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.44
▸ NTMT1 Q9BV86 2/20 0.43
▸ AVPR1A P37288 6/20 0.42
▸ AVPR1B P47901 4/20 0.42
▸ F2 P00734 5/20 0.41
▸ AVPR2 P30518 3/20 0.41
▸ OXTR P30559 2/20 0.40
▸ TBXA2R P21731 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ CTRB1 P17538 1/20 0.40
▸ PRCP P42785 1/20 0.39

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
SCHEMBL29750784 0.88 ACE (0.45) TLR2NTMT1F2CTRB1PRCP
SCHEMBL29456966 0.88 STAT3 (0.42) AVPR1AAVPR1BF2AVPR2OXTR
SCHEMBL29777648 0.85 ACE (0.49) TLR2NTMT1F2CTRB1PRCP
SCHEMBL29566581 0.83 CTRB1 (0.46) F2CTRB1PRCP
SCHEMBL29777564 0.81 TLR2 (0.59) TLR2
SCHEMBL30585183 0.81 CTRB1 (0.45) TLR2F2CTRB1PRCP
SCHEMBL29561678 0.80 CTRB1 (0.42) TLR2F2CTRB1PRCP
SCHEMBL29401177 0.80 CMA1 (0.43) F2CTRB1
SCHEMBL31297113 0.79 F2 (0.47) TLR2NTMT1F2PRCP
SCHEMBL19423740 0.79 TLR2 (0.62) TLR2

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 4 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 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-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
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