SCHEMBL6615751

SCHEMBL6615751

Cc1ccn(-c2ccc(C(=O)N3Cc4cccnc4Nc4ccccc43)c(Cl)c2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 17/20 1.00
AVPR1A P37288 7/20 0.78
OXTR P30559 3/20 0.70
IDH1 O75874 3/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 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
SCHEMBL6616836 0.90 AVPR2 (1.00) AVPR2AVPR1AOXTRIDH1
SCHEMBL7312662 0.90 AVPR2 (1.00) AVPR2AVPR1AOXTRIDH1
SCHEMBL7320422 0.90 AVPR2 (0.81) AVPR2AVPR1AOXTRIDH1
SCHEMBL6614886 0.88 AVPR2 (1.00) AVPR2AVPR1AOXTRIDH1
SCHEMBL6615073 0.88 AVPR2 (0.78) AVPR2AVPR1AOXTRIDH1
SCHEMBL7317124 0.85 AVPR2 (0.80) AVPR2AVPR1AOXTRIDH1
SCHEMBL6614332 0.84 AVPR2 (1.00) AVPR2AVPR1AOXTRIDH1
SCHEMBL6618394 0.81 AVPR2 (0.71) AVPR2AVPR1AOXTRCYP3A4CYP2D6
SCHEMBL6614607 0.81 AVPR2 (0.69) AVPR2AVPR1AIDH1
SCHEMBL7323380 0.80 AVPR2 (1.00) AVPR2AVPR1AIDH1

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 14 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
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