SCHEMBL4305913

SCHEMBL4305913

CC(=O)OCCCOc1cc2c(OCC(=O)NC(C)C)nc(-c3cccc(C)n3)cn2n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 8/20 0.40
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
TGFBR1 P36897 7/20 0.35
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.32

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
SCHEMBL8018283 0.91 AVPR1B (0.41) AVPR1BHCRTR1HCRTR2TGFBR1KDM4E
SCHEMBL4304194 0.85 AVPR1B (0.52) AVPR1BSMN1; SMN2
SCHEMBL4304949 0.81 AVPR1B (0.55) AVPR1BKDM4E
SCHEMBL4308294 0.76 AVPR1B (0.54) AVPR1BHCRTR1HCRTR2SMN1; SMN2
SCHEMBL4308493 0.76 AVPR1B (0.54) AVPR1BHCRTR1HCRTR2SMN1; SMN2
SCHEMBL4311760 0.74 TNKS (0.39) AVPR1BTGFBR1KDM4ESMN1; SMN2HTT
SCHEMBL4304919 0.72 AVPR1B (0.56) AVPR1BHCRTR1HCRTR2
SCHEMBL4310010 0.72 AVPR1B (0.57) AVPR1BKDM4E
SCHEMBL8020813 0.71 AVPR1B (0.55) AVPR1BSMN1; SMN2
SCHEMBL4302641 0.71 AVPR1B (0.54) AVPR1BKDM4E

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-2009130232-A1 PYRAZOLO [1, 5 -A] PYRAZINE DERIVATIVES AS ANTAGONISTS OF V1B RECEPTORS GLAXO GROUP LIMITED (GB) 2009-10-29 WO disclosed
WO-2009130232-A1 PYRAZOLO [1, 5 -A] PYRAZINE DERIVATIVES AS ANTAGONISTS OF V1B RECEPTORS GLAXO GROUP LIMITED (GB) 2009-10-29 WO disclosed