SCHEMBL6615031

SCHEMBL6615031

CC(C)(C)c1ccn(-c2ccc(C(=O)c3cccc4c3Nc3ncccc3CN4)c(C(F)(F)F)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 9/20 0.52
AVPR1A P37288 3/20 0.52
CAPN1 P07384 1/20 0.31
IDH1 O75874 4/20 0.31
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL6615066 0.82 AVPR2 (0.64) AVPR2AVPR1AIDH1
SCHEMBL6615939 0.80 AVPR2 (0.62) AVPR2AVPR1A
SCHEMBL7313783 0.78 AVPR2 (0.83) AVPR2AVPR1AIDH1
SCHEMBL6616850 0.78 AVPR2 (0.62) AVPR2AVPR1AIDH1
SCHEMBL6617518 0.78 AVPR2 (0.51) AVPR2AVPR1AIDH1
SCHEMBL6616032 0.76 AVPR2 (0.56) AVPR2AVPR1A
SCHEMBL6616672 0.73 AVPR2 (0.49) AVPR2AVPR1AIDH1
SCHEMBL6617257 0.72 AVPR2 (0.84) AVPR2AVPR1AIDH1
SCHEMBL6615080 0.71 KDM4E (0.38) AVPR2IDH1MAPT
SCHEMBL6615566 0.69 AVPR2 (0.61) 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 7 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
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