SCHEMBL6616147

SCHEMBL6616147

O=C(c1ccc(F)cc1F)N1Cc2cccnc2Oc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
AVPR2 P30518 2/20 0.45
SHMT2 P34897 1/20 0.44
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL6621038 0.90 AVPR2 (0.43) AVPR2SHMT2LMNATP53MAPT
SCHEMBL6617113 0.90 AVPR2 (0.46) AVPR2SHMT2TP53MAPT
SCHEMBL6615887 0.89 AVPR2 (0.49) AVPR2SHMT2LMNATP53MAPT
SCHEMBL6620011 0.83 AVPR2 (0.69) AVPR2LMNA
SCHEMBL7344491 0.79 TP53 (0.40) SHMT2TP53MAPT
SCHEMBL7325709 0.77 AVPR2 (0.70) AVPR2
SCHEMBL7335243 0.76 AVPR2 (0.48) AVPR2
SCHEMBL7334278 0.76 AVPR2 (0.43) AVPR2
SCHEMBL7017866 0.75 TP53 (0.46) SHMT2LMNATP53MAPT
SCHEMBL7024798 0.74 TP53 (0.47) SHMT2LMNATP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000059-B1 TRICYCLIC VASOPRESSIN AGONISTS WYETH CORP (US) 2004-09-29 EP disclosed
US-6194407-B1 INCONTINENCE AMERICAN HOME PRODUCTS CORPORATION 2001-02-27 US 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