SCHEMBL8739616

SCHEMBL8739616

CCCC(=O)Cn1c(-c2ccc(Cl)cc2)nn(CC(=O)NCCc2ccccc2C(F)(F)F)c1=O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 13/20 0.49
AVPR1A P37288 13/20 0.49
CNR1 P21554 1/20 0.45
TRPA1 O75762 1/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR139 Q6DWJ6 1/20 0.41

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
SCHEMBL8232623 0.89 AVPR2 (0.51) AVPR2AVPR1ACNR1
SCHEMBL8234803 0.87 AVPR2 (0.52) AVPR2AVPR1ACNR1TRPA1
SCHEMBL8237655 0.86 AVPR2 (0.48) AVPR2AVPR1ACNR1TRPA1
SCHEMBL14476689 0.86 AVPR2 (0.49) AVPR2AVPR1ACNR1
SCHEMBL8233201 0.86 AVPR2 (0.51) AVPR2AVPR1ACNR1GPR139
SCHEMBL12057175 0.85 AVPR2 (0.52) AVPR2AVPR1ACNR1
SCHEMBL12057379 0.85 AVPR2 (0.49) AVPR2AVPR1ACNR1LMNA
SCHEMBL8233236 0.85 AVPR2 (0.50) AVPR2AVPR1ACNR1TRPA1
SCHEMBL4513232 0.85 AVPR2 (0.59) AVPR2AVPR1ACNR1
SCHEMBL8234738 0.85 AVPR2 (0.49) AVPR2AVPR1ACNR1

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
EP-2027096-B1 SUBSTITUTED ARYLIMIDAZ0L0NE AND TRIAZ0L0NE AS INHIBITORS OF VASOPRESSIN RECEPTORS Bayer Pharma AG (DE) 2012-05-23 EP disclosed