SCHEMBL29456966

SCHEMBL29456966

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.42
▸ F2 P00734 1/20 0.42
▸ REN P00797 1/20 0.41
▸ OXTR P30559 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CTRB1 P17538 1/20 0.40
▸ AVPR2 P30518 1/20 0.40
▸ AVPR1A P37288 1/20 0.40
▸ AVPR1B P47901 1/20 0.40
▸ PSMB9 P28065 2/20 0.40
▸ KMT2A Q03164 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
SCHEMBL29401177 0.92 CMA1 (0.43) F2RENALDH1A1GAATSHR
SCHEMBL15006480 0.88 REN (0.44) RENALDH1A1GAAPSMB9KMT2A
SCHEMBL29777548 0.88 TLR2 (0.44) F2OXTRCTRB1AVPR2AVPR1A
SCHEMBL1372342 0.85 CTRB1 (0.57) STAT3ALDH1A1TSHRCTRB1KMT2A
SCHEMBL1372348 0.85 CTRB1 (0.57) STAT3ALDH1A1TSHRCTRB1KMT2A
SCHEMBL10784995 0.83 CTRB1 (0.54) STAT3ALDH1A1TSHRCTRB1KMT2A
SCHEMBL29413333 0.82 CTRB1 (0.46) F2ALDH1A1GAATSHRCTRB1
SCHEMBL29445787 0.81 CTRB1 (0.45) F2ALDH1A1GAATSHRCTRB1
SCHEMBL19455851 0.80 CMA1 (0.39) F2REN
SCHEMBL30585183 0.80 CTRB1 (0.45) F2ALDH1A1GAACTRB1KMT2A

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-112142825-B Method for synthesizing carbetocin in fragment mode 山东辰龙药业有限公司 2022-03-11 — — CN disclosed
CN-112142825-B Method for synthesizing carbetocin in fragment mode 山东辰龙药业有限公司 2022-03-11 — — CN disclosed
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