SCHEMBL28458705

SCHEMBL28458705

CN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](CC(=O)OC(C)(C)C)N1C(=O)C(N2C(=O)OC[C@@H]2c2ccccc2)C1/C=C/c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 20/20 0.73

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
SCHEMBL2776687 1.00 AVPR1A (0.73) AVPR1A
SCHEMBL28459547 0.92 AVPR1A (0.78) AVPR1A
SCHEMBL14904520 0.92 AVPR1A (0.78) AVPR1A
SCHEMBL42584 0.92 AVPR1A (0.78) AVPR1A
SCHEMBL20819136 0.92 AVPR1A (0.78) AVPR1A
SCHEMBL14900811 0.92 AVPR1A (0.77) AVPR1A
SCHEMBL19027084 0.90 AVPR1A (0.70) AVPR1A
SCHEMBL45651 0.88 AVPR1A (0.81) AVPR1A
SCHEMBL45524 0.88 AVPR1A (0.81) AVPR1A
SCHEMBL17114119 0.87 AVPR1A (0.71) AVPR1A

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
CN-111295373-A Compositions and methods for treating brain injury 阿泽凡药物公司 2020-06-16 CN disclosed