SCHEMBL4301376

SCHEMBL4301376

CC(C)(C)NC(=O)Cn1c(-c2ccc(F)c(C(F)(F)F)c2)cn2nc(OCCCO)cc2c1=O

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 12/20 0.66
LMNA P02545 1/20 0.37
GRIN2B Q13224 5/20 0.35
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
GRIN1 Q05586 2/20 0.34
NR1I2 O75469 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
SCHEMBL4303320 0.90 AVPR1B (0.81) AVPR1B
SCHEMBL4315024 0.89 AVPR1B (0.84) AVPR1B
SCHEMBL8016622 0.86 AVPR1B (0.54) AVPR1BGRIN2BGRIN1NR1I2
SCHEMBL4302587 0.85 AVPR1B (0.65) AVPR1B
SCHEMBL4302720 0.80 AVPR1B (1.00) AVPR1B
SCHEMBL4305688 0.78 AVPR1B (0.81) AVPR1B
SCHEMBL4311786 0.76 AVPR1B (0.69) AVPR1B
SCHEMBL4307426 0.76 AVPR1B (0.61) AVPR1B
Hydrochloric Acid SCHEMBL4312035 0.75 AVPR1B (0.69) AVPR1B
SCHEMBL4315145 0.74 AVPR1B (0.83) 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-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