SCHEMBL8739495

SCHEMBL8739495

CC(C)(C)CC(=O)Cn1c(-c2ccc(Cl)cc2)nn(CC(=O)NCc2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 12/20 0.56
AVPR1A P37288 12/20 0.56
CCR1 P32246 4/20 0.47
TP53 P04637 2/20 0.45
MAPT P10636 1/20 0.44
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL8237253 0.90 AVPR2 (0.59) AVPR2AVPR1ACCR1TP53MAPT
SCHEMBL8233415 0.89 AVPR2 (0.60) AVPR2AVPR1ACCR1TP53MAPT
SCHEMBL3977250 0.89 AVPR2 (0.60) AVPR2AVPR1ACCR1TP53MAPT
SCHEMBL8235559 0.89 AVPR2 (0.62) AVPR2AVPR1ACCR1TP53MAPT
SCHEMBL8233190 0.88 AVPR2 (0.56) AVPR2AVPR1ACCR1TP53MAPT
SCHEMBL8235956 0.88 AVPR2 (0.61) AVPR2AVPR1ACCR1TP53MAPT
SCHEMBL14476692 0.86 AVPR2 (0.57) AVPR2AVPR1ACCR1TP53MAPT
SCHEMBL8233286 0.86 AVPR2 (0.63) AVPR2AVPR1ACCR1TP53
SCHEMBL4500537 0.86 AVPR2 (0.65) AVPR2AVPR1ACCR1TP53
SCHEMBL8232808 0.86 AVPR2 (0.58) AVPR2AVPR1ACCR1TP53MAPT

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