SCHEMBL4311095

SCHEMBL4311095

CC(C)NC(=O)Cn1c(-c2ccc(F)c(C(F)(F)F)c2)cn2cc(O)cc2c1=O

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 20/20 0.68

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
SCHEMBL4306581 0.90 AVPR1B (0.67) AVPR1B
SCHEMBL4302777 0.85 AVPR1B (0.61) AVPR1B
SCHEMBL4309843 0.82 AVPR1B (0.52) AVPR1B
SCHEMBL4318195 0.82 AVPR1B (0.71) AVPR1B
SCHEMBL4302783 0.81 AVPR1B (1.00) AVPR1B
SCHEMBL8010473 0.81 AVPR1B (0.67) AVPR1B
SCHEMBL8017892 0.78 AVPR1B (0.65) AVPR1B
SCHEMBL8020361 0.78 AVPR1B (0.68) AVPR1B
SCHEMBL4303320 0.77 AVPR1B (0.81) AVPR1B
SCHEMBL8019532 0.75 AVPR1B (0.53) AVPR1B

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
WO-2009130231-A1 PYRROLO [1, 2-A] PYRAZINE DERIVATIVES AS VASOPRESSIN VIB RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-10-29 WO disclosed
WO-2009130231-A1 PYRROLO [1, 2-A] PYRAZINE DERIVATIVES AS VASOPRESSIN VIB RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-10-29 WO disclosed