SCHEMBL4314136

SCHEMBL4314136

CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(N3CCCC(N(C)C)C3)cc2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 20/20 1.00

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
SCHEMBL4315328 0.96 AVPR1B (1.00) AVPR1B
SCHEMBL4307518 0.91 AVPR1B (1.00) AVPR1B
SCHEMBL4303518 0.84 AVPR1B (1.00) AVPR1B
SCHEMBL4315329 0.84 AVPR1B (1.00) AVPR1B
SCHEMBL4306168 0.83 AVPR1B (1.00) AVPR1B
SCHEMBL4309931 0.83 AVPR1B (1.00) AVPR1B
SCHEMBL4306541 0.83 AVPR1B (1.00) AVPR1B
SCHEMBL4310867 0.81 AVPR1B (1.00) AVPR1B
SCHEMBL4318030 0.81 AVPR1B (0.85) AVPR1B
SCHEMBL4306465 0.81 AVPR1B (1.00) 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 3 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 claimed
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