SCHEMBL6615566

SCHEMBL6615566

Cn1ccc(-c2ccc(C(=O)c3cccc4c3Nc3ncccc3CN4)c(Cl)c2)n1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.61
AVPR1A P37288 2/20 0.61
IDH1 O75874 5/20 0.43
P2RX7 Q99572 1/20 0.36
PARP1 P09874 1/20 0.35
NTRK1 P04629 1/20 0.34
PAK1 Q13153 1/20 0.33
DYRK1A Q13627 1/20 0.33
RORB Q92753 1/20 0.32
TTK P33981 1/20 0.32
ADORA2A P29274 1/20 0.32

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
SCHEMBL6616432 0.83 AVPR2 (0.53) AVPR2AVPR1AIDH1P2RX7PARP1
SCHEMBL7451415 0.81 AVPR2 (0.39) AVPR2AVPR1AIDH1NTRK1DYRK1A
SCHEMBL7510097 0.81 AVPR2 (0.41) AVPR2AVPR1APAK1RORB
SCHEMBL7508188 0.81 IDH1 (0.39) AVPR2AVPR1AIDH1NTRK1DYRK1A
SCHEMBL7323380 0.76 AVPR2 (1.00) AVPR2AVPR1AIDH1
SCHEMBL6615080 0.73 KDM4E (0.38) AVPR2IDH1
SCHEMBL7505774 0.72 P2RX3 (0.34) AVPR2AVPR1AIDH1
SCHEMBL6616672 0.72 AVPR2 (0.49) AVPR2AVPR1AIDH1
SCHEMBL6616850 0.72 AVPR2 (0.62) AVPR2AVPR1AIDH1
SCHEMBL7395315 0.71 BRD4 (0.39) 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 12 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
US-6194407-B1 INCONTINENCE AMERICAN HOME PRODUCTS CORPORATION 2001-02-27 US 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
EP-1149096-A2 TRICYCLIC PYRIDINE N-OXIDES VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-31 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
WO-2000046224-A2 TRICYCLIC PYRIDINE N-OXIDES VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-08-10 WO disclosed
US-6090803-A ANTIDIABETIC AGENTS; INCONTINENCE AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-18 US disclosed
EP-0309043-A2 Novel substituted N-(1-alkyl-3-hydroxy-4-piperidinyl)benzamides JANSSEN PHARMACEUTICA N.V. (BE) 1989-03-29 EP disclosed