SCHEMBL28778336

SCHEMBL28778336

CCCC(O)c1ccccc1-c1nnnn1C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.39
HIF1A Q16665 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
KCNN4 O15554 6/20 0.36
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.34
ELANE P08246 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL29557803 0.93 HTR2C (0.39) HTR2CHIF1ANPSR1RXFP1AGTR1
SCHEMBL24416952 0.93 HTR2C (0.39) HTR2CHIF1ANPSR1RXFP1AGTR1
SCHEMBL29557035 0.92 HTR2C (0.38) HTR2CHIF1ANPSR1RXFP1AGTR1
SCHEMBL24416911 0.92 HTR2C (0.38) HTR2CHIF1ANPSR1RXFP1AGTR1
SCHEMBL29557203 0.83 HIF1A (0.46) HTR2CHIF1ANPSR1RXFP1ALDH1A1
SCHEMBL24416859 0.83 HIF1A (0.46) HTR2CHIF1ANPSR1RXFP1ALDH1A1
SCHEMBL24416928 0.83 CYP11B1 (0.36) KCNN4ALDH1A1SMN1; SMN2
SCHEMBL29557232 0.83 CYP11B1 (0.36) KCNN4ALDH1A1SMN1; SMN2
SCHEMBL24416921 0.83 SMN1; SMN2 (0.41) HTR2CALDH1A1SMN1; SMN2
SCHEMBL29557394 0.83 SMN1; SMN2 (0.41) HTR2CALDH1A1SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022095965-A1 TETRAZOLE DERIVATIVE, PREPARATION FOR TETRAZOLE DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING TETRAZOLE DERIVATIVE, AND APPLICATION OF TETRAZOLE DERIVATIVE 浙江大学 2022-05-12 WO claimed
CN-114436985-A Tetrazole derivative, preparation method thereof, pharmaceutical composition containing tetrazole derivative and application of pharmaceutical composition 浙江大学 2022-05-06 CN claimed
WO-2022095965-A1 TETRAZOLE DERIVATIVE, PREPARATION FOR TETRAZOLE DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING TETRAZOLE DERIVATIVE, AND APPLICATION OF TETRAZOLE DERIVATIVE 浙江大学 2022-05-12 WO disclosed
CN-114436985-A Tetrazole derivative, preparation method thereof, pharmaceutical composition containing tetrazole derivative and application of pharmaceutical composition 浙江大学 2022-05-06 CN disclosed