SCHEMBL8739607

SCHEMBL8739607

COC(=O)Cn1nc(-c2ccc(Cl)cc2)n(CC(C)OC)c1=O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 13/20 0.53
AVPR1A P37288 13/20 0.53
TSHR P16473 1/20 0.43
CNR1 P21554 1/20 0.42
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
CYP2C19 P33261 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
SCHEMBL257237 0.85 AVPR2 (0.70) AVPR2AVPR1A
SCHEMBL256933 0.85 AVPR2 (0.70) AVPR2AVPR1A
SCHEMBL256937 0.85 AVPR2 (0.70) AVPR2AVPR1A
SCHEMBL8227135 0.83 AVPR2 (0.47) AVPR2AVPR1ATSHRCNR1CYP1A2
SCHEMBL8233090 0.83 AVPR2 (0.49) AVPR2AVPR1ATSHRCNR1CYP1A2
SCHEMBL19577887 0.82 AVPR2 (0.48) AVPR2AVPR1ATSHRCYP1A2GAA
SCHEMBL8235892 0.82 AVPR2 (0.49) AVPR2AVPR1ATSHRCNR1CYP1A2
SCHEMBL19569171 0.81 AVPR2 (0.52) AVPR2AVPR1ATSHRCNR1
SCHEMBL8233167 0.81 AVPR2 (0.48) AVPR2AVPR1ATSHRCNR1CYP1A2
SCHEMBL19574618 0.81 AVPR2 (0.59) AVPR2AVPR1A

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