SCHEMBL24416952

SCHEMBL24416952

CCCCC(O)c1ccccc1-c1nnnn1C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.39
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
AGTR1 P30556 5/20 0.36
AGTR2 P50052 1/20 0.36
TSHR P16473 2/20 0.35
CCR3 P51677 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
LMNA P02545 1/20 0.33
SLC9A1 P19634 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 1.00 HTR2C (0.39) HTR2CHIF1ANPSR1RXFP1AGTR1
SCHEMBL24416911 0.96 HTR2C (0.38) HTR2CHIF1ANPSR1RXFP1AGTR1
SCHEMBL29557035 0.96 HTR2C (0.38) HTR2CHIF1ANPSR1RXFP1AGTR1
SCHEMBL28778336 0.93 HTR2C (0.39) HTR2CHIF1ANPSR1RXFP1AGTR1
SCHEMBL24417223 0.83 SMN1; SMN2 (0.40) ALDH1A1LMNA
SCHEMBL24416993 0.83 CCR3 (0.35) CCR3ALDH1A1
SCHEMBL29557058 0.83 CCR3 (0.35) CCR3ALDH1A1
SCHEMBL24416864 0.83 HIF1A (0.45) HTR2CHIF1ANPSR1RXFP1CCR3
SCHEMBL24416865 0.83 SMN1; SMN2 (0.32) HTR2CHIF1ANPSR1RXFP1TSHR
SCHEMBL29557220 0.83 SMN1; SMN2 (0.32) HTR2CHIF1ANPSR1RXFP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-112457265-A Tetrazole derivative, preparation method thereof, pharmaceutical composition containing tetrazole derivative and application of pharmaceutical composition 浙江大学 2021-03-09 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
CN-112457265-A Tetrazole derivative, preparation method thereof, pharmaceutical composition containing tetrazole derivative and application of pharmaceutical composition 浙江大学 2021-03-09 CN disclosed