SCHEMBL8233213

SCHEMBL8233213

CCn1c(-c2ccc(Cl)cc2)nn(CC(=O)NC(C)(C)c2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AVPR2 P30518 16/20 0.60
▸ AVPR1A P37288 16/20 0.60
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 1/20 0.46

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
SCHEMBL3986255 0.92 AVPR2 (0.58) AVPR2AVPR1ATP53MAPT
SCHEMBL8233642 0.92 AVPR2 (0.60) AVPR2AVPR1ATP53MAPT
SCHEMBL3977873 0.92 AVPR2 (0.60) AVPR2AVPR1ATP53MAPT
SCHEMBL3979687 0.92 AVPR2 (0.60) AVPR2AVPR1ATP53MAPT
SCHEMBL3983031 0.91 AVPR2 (0.59) AVPR2AVPR1ATP53MAPT
SCHEMBL8227239 0.91 AVPR2 (0.59) AVPR2AVPR1ATP53MAPT
SCHEMBL4493699 0.91 AVPR2 (0.59) AVPR2AVPR1ATP53MAPT
SCHEMBL3986162 0.91 AVPR2 (0.61) AVPR2AVPR1ATP53MAPT
SCHEMBL8235953 0.91 AVPR2 (0.59) AVPR2AVPR1ATP53MAPT
SCHEMBL8228940 0.91 AVPR2 (0.57) AVPR2AVPR1ATP53MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007134862-A1 SUBSTITUTED ARYLIMIDAZ0L0NE AND TRIAZ0L0NE AS INHIBITORS OF VASOPRESSIN RECEPTORS BAYER HEALTHCARE AG (DE) 2007-11-29 — — WO disclosed
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