SCHEMBL6615073

SCHEMBL6615073

O=C(c1ccc(-n2ccc(C(F)(F)F)n2)cc1Cl)N1Cc2cccnc2Nc2ccccc21

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 11/20 0.78
AVPR1A P37288 4/20 0.70
OXTR P30559 2/20 0.54
IDH1 O75874 9/20 0.48

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
SCHEMBL6617257 0.91 AVPR2 (0.84) AVPR2AVPR1AIDH1
SCHEMBL6615751 0.88 AVPR2 (1.00) AVPR2AVPR1AOXTRIDH1
SCHEMBL7313783 0.86 AVPR2 (0.83) AVPR2AVPR1AOXTRIDH1
SCHEMBL6614886 0.82 AVPR2 (1.00) AVPR2AVPR1AOXTRIDH1
SCHEMBL6614607 0.81 AVPR2 (0.69) AVPR2AVPR1AIDH1
SCHEMBL7312662 0.79 AVPR2 (1.00) AVPR2AVPR1AOXTRIDH1
SCHEMBL6614332 0.78 AVPR2 (1.00) AVPR2AVPR1AOXTRIDH1
SCHEMBL6616836 0.78 AVPR2 (1.00) AVPR2AVPR1AOXTRIDH1
SCHEMBL6624436 0.77 AVPR2 (0.76) AVPR2AVPR1AOXTR
SCHEMBL7320422 0.77 AVPR2 (0.81) AVPR2AVPR1AOXTRIDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000059-B1 TRICYCLIC VASOPRESSIN AGONISTS WYETH CORP (US) 2004-09-29 EP claimed
CN-1162429-C Tricyclic vasopressin agonists 2004-08-18 CN claimed
US-6194407-B1 INCONTINENCE AMERICAN HOME PRODUCTS CORPORATION 2001-02-27 US claimed
CN-1272110-A Tricyclic vasopressin agonists AMERICAN HOME PROD (US) 2000-11-01 CN claimed
EP-1000059-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-17 EP claimed
WO-1999006403-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-11 WO claimed
EP-1000059-B1 TRICYCLIC VASOPRESSIN AGONISTS WYETH CORP (US) 2004-09-29 EP disclosed
CN-1162429-C Tricyclic vasopressin agonists 2004-08-18 CN disclosed
EP-1149096-B1 TRICYCLIC PYRIDINE N-OXIDES VASOPRESSIN AGONISTS WYETH CORP (US) 2002-12-18 EP disclosed
US-6235900-B1 Tricyclic pyridine N-oxides vasopressin agonists AMERICAN HOME PRODUCTS CORPORATION 2001-05-22 US disclosed
US-6194407-B1 INCONTINENCE AMERICAN HOME PRODUCTS CORPORATION 2001-02-27 US disclosed
CN-1272110-A Tricyclic vasopressin agonists AMERICAN HOME PROD (US) 2000-11-01 CN disclosed
US-6090803-A ANTIDIABETIC AGENTS; INCONTINENCE AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-18 US disclosed
EP-1000059-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-17 EP disclosed
WO-1999006403-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-11 WO disclosed