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Sugi Predict / Compounds / SCHEMBL5233202

SCHEMBL5233202

SCHEMBL5233202

Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCc3cn[nH]c3-c3sccc32)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AVPR2 P30518 16/20 0.81
▸ AVPR1A P37288 13/20 0.65
▸ OXTR P30559 4/20 0.51

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
SCHEMBL5235980 0.89 AVPR2 (1.00) AVPR2AVPR1A
SCHEMBL5232712 0.87 AVPR2 (0.76) AVPR2AVPR1A
SCHEMBL5235169 0.86 AVPR2 (1.00) AVPR2AVPR1A
SCHEMBL5236957 0.85 AVPR2 (0.76) AVPR2AVPR1AOXTR
SCHEMBL5236665 0.85 AVPR2 (0.58) AVPR2AVPR1AOXTR
SCHEMBL8819468 0.85 AVPR2 (0.69) AVPR2AVPR1AOXTR
SCHEMBL5231105 0.83 AVPR2 (0.82) AVPR2AVPR1A
SCHEMBL8819700 0.82 AVPR2 (0.69) AVPR2AVPR1AOXTR
SCHEMBL7308396 0.81 AVPR2 (0.54) AVPR2AVPR1AOXTR
SCHEMBL5232690 0.80 AVPR2 (0.82) 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-0804440-B1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2007-12-19 — — EP claimed
US-5532235-A TO TREAT EXCESS RENAL REABSORPTION AMERICAN CYANAMID COMPANY (US) 1996-07-02 — — US claimed
EP-0804440-B1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2007-12-19 — — EP disclosed
US-5532235-A TO TREAT EXCESS RENAL REABSORPTION AMERICAN CYANAMID COMPANY (US) 1996-07-02 — — US disclosed