SCHEMBL7325709

SCHEMBL7325709

O=C(c1ccc(F)cc1F)N1Cc2cccnc2Nc2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.70
AVPR1A P37288 2/20 0.58
IDH1 O75874 13/20 0.58

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
SCHEMBL6614607 0.90 AVPR2 (0.69) AVPR2AVPR1AIDH1
SCHEMBL6615584 0.90 AVPR2 (0.68) AVPR2AVPR1AIDH1
SCHEMBL6616064 0.88 AVPR2 (0.71) AVPR2AVPR1AIDH1
SCHEMBL6620538 0.88 AVPR2 (0.63) AVPR2AVPR1AIDH1
SCHEMBL7317124 0.83 AVPR2 (0.80) AVPR2AVPR1AIDH1
SCHEMBL7312662 0.83 AVPR2 (1.00) AVPR2AVPR1AIDH1
SCHEMBL7949083 0.80 AVPR2 (0.65) AVPR2AVPR1AIDH1
SCHEMBL27486147 0.79 IDH1 (0.73) IDH1
SCHEMBL6616147 0.77 KDM4E (0.45) AVPR2
SCHEMBL4150867 0.76 IDH1 (0.62) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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