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Sugi Predict / Compounds / SCHEMBL6997469

SCHEMBL6997469

SCHEMBL6997469

O=C(Nc1ccc(C(=O)N2Cc3ccc(C(=O)O)n3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AVPR2 P30518 20/20 1.00
▸ AVPR1A P37288 7/20 0.73

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
SCHEMBL7002070 0.90 AVPR2 (0.82) AVPR2AVPR1A
SCHEMBL6997140 0.88 AVPR2 (0.84) AVPR2AVPR1A
SCHEMBL7142588 0.88 AVPR2 (0.78) AVPR2AVPR1A
SCHEMBL7000720 0.86 AVPR2 (1.00) AVPR2AVPR1A
Piperazine SCHEMBL7001718 0.85 AVPR2 (0.74) AVPR2AVPR1A
SCHEMBL7095142 0.85 AVPR2 (0.74) AVPR2AVPR1A
SCHEMBL6997057 0.85 AVPR2 (0.78) AVPR2AVPR1A
SCHEMBL5738817 0.84 AVPR2 (1.00) AVPR2AVPR1A
SCHEMBL6997117 0.84 AVPR2 (1.00) AVPR2AVPR1A
SCHEMBL7002078 0.84 AVPR2 (0.72) AVPR2AVPR1A

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
EP-1021444-B1 3-CARBOXAMIDE DERIVATIVES OF 5H-PYRROLO[2,1-c][1,4]-BENZODIAZEPINES WYETH CORP (US) 2003-09-24 — — EP claimed
EP-1021444-A1 3-CARBOXAMIDE DERIVATIVES OF 5H-PYRROLO[2,1-c][1,4]-BENZODIAZEPINES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-26 — — EP claimed
WO-1998020011-A1 3-CARBOXAMIDE DERIVATIVES OF 5H-PYRROLO[2,1-c][1,4]-BENZODIAZEPINES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-05-14 — — WO claimed
EP-1021444-B1 3-CARBOXAMIDE DERIVATIVES OF 5H-PYRROLO[2,1-c][1,4]-BENZODIAZEPINES WYETH CORP (US) 2003-09-24 — — EP disclosed