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Sugi Predict / Compounds / SCHEMBL4309911

SCHEMBL4309911

SCHEMBL4309911

CC(C)NC(=O)Cn1c(-c2cccc(OC(F)(F)F)c2)cn2cc(CCCCN3CCCCC3)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
SCHEMBL4311840 0.91 AVPR1B (0.80) AVPR1B
Hydrochloric Acid SCHEMBL4307146 0.90 AVPR1B (0.79) AVPR1B
SCHEMBL4308801 0.90 AVPR1B (0.79) AVPR1B
Hydrochloric Acid SCHEMBL4302724 0.90 AVPR1B (0.78) AVPR1B
SCHEMBL8023431 0.89 AVPR1B (0.55) AVPR1B
SCHEMBL4304233 0.89 AVPR1B (0.64) AVPR1B
SCHEMBL4308551 0.89 AVPR1B (0.81) AVPR1B
Hydrochloric Acid SCHEMBL4302648 0.88 AVPR1B (0.63) AVPR1B
Hydrochloric Acid SCHEMBL4311787 0.88 AVPR1B (0.80) AVPR1B
SCHEMBL4307066 0.88 AVPR1B (0.65) 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