SCHEMBL28828985

SCHEMBL28828985

O=c1[nH]cc(-c2ccc(Cl)cc2)n1CC(O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 18/20 0.41
AVPR1A P37288 18/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL28828981 1.00 AVPR2 (0.41) AVPR2AVPR1AALDH1A1HPGDMAPT
SCHEMBL29810760 0.87 AVPR2 (0.39) AVPR2AVPR1A
SCHEMBL28829027 0.81 ALDH1A1 (0.42) AVPR2AVPR1AALDH1A1HPGDMAPT
SCHEMBL28828769 0.76 AVPR2 (0.42) AVPR2AVPR1A
SCHEMBL28828770 0.76 AVPR2 (0.42) AVPR2AVPR1A
SCHEMBL11258178 0.76 APEX1 (0.52) ALDH1A1HPGDMAPTNPSR1RXFP1
SCHEMBL409762 0.75 AVPR2 (0.51) AVPR2AVPR1A
SCHEMBL256612 0.75 AVPR2 (0.51) AVPR2AVPR1A
SCHEMBL460084 0.75 AVPR2 (0.51) AVPR2AVPR1A
SCHEMBL28829068 0.74 AVPR2 (0.41) 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
CN-114835688-A Substituted 4-aryl imidazole-2-ketone derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-08-02 CN disclosed