SCHEMBL7582976

SCHEMBL7582976

O=C(c1ccc(-n2ccc(C3CC3)n2)cc1C(F)(F)F)N1C=C2CC=CN2Cc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 8/20 0.42
AVPR1A P37288 3/20 0.42
MGLL Q99685 3/20 0.34
FAAH O00519 2/20 0.33
OXTR P30559 1/20 0.33

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
SCHEMBL7417501 0.80 AVPR2 (0.40) AVPR2AVPR1AOXTR
SCHEMBL7638228 0.78 AVPR2 (0.57) AVPR2AVPR1AOXTR
SCHEMBL7632997 0.78 AVPR2 (0.41) AVPR2AVPR1AOXTR
SCHEMBL6623630 0.76 AVPR2 (0.58) AVPR2AVPR1AOXTR
SCHEMBL6623658 0.74 AVPR2 (0.55) AVPR2AVPR1AOXTR
SCHEMBL7422025 0.71 AVPR2 (0.42) AVPR2AVPR1AOXTR
SCHEMBL7419308 0.69 AVPR2 (0.44) AVPR2AVPR1AOXTR
SCHEMBL7421754 0.69 AVPR2 (0.50) AVPR2AVPR1AOXTR
SCHEMBL7414927 0.69 AVPR2 (0.41) AVPR2AVPR1AOXTR
SCHEMBL7422271 0.69 AVPR2 (0.52) AVPR2AVPR1AOXTR

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-1000062-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-17 EP claimed
WO-1999006409-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-11 WO claimed