SCHEMBL9568045

SCHEMBL9568045

NC(=O)C(C1CCc2ccccc2C1)C(c1ccccc1)c1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 1/20 0.39
ADRB3 P13945 2/20 0.38
TRPM8 Q7Z2W7 4/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.36
CFTR P13569 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
GOPC Q9HD26 1/20 0.35
NR1I2 O75469 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
TBXAS1 P24557 1/20 0.34
LMNA P02545 1/20 0.34
SLC18A3 Q16572 1/20 0.34

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
SCHEMBL9048005 0.85 TBXAS1 (0.37) TAOK1TRPM8ALDH1A1HTTSMN1; SMN2
SCHEMBL9048009 0.83 TBXAS1 (0.44) TRPM8SLC6A2SLC6A4SLC6A3NR1I2
SCHEMBL9047215 0.82 TBXAS1 (0.57) TBXAS1
SCHEMBL3825017 0.71 GBA1 (0.41) ALDH1A1SMN1; SMN2CFTRSLC6A2SLC6A4
SCHEMBL9568024 0.70 KDM4C (0.48) TAOK1TRPM8ALDH1A1TBXAS1
SCHEMBL9568005 0.69 TRPM8 (0.39) TRPM8
SCHEMBL2597095 0.68 MTNR1A (0.46)
SCHEMBL9051601 0.67 TRPM8 (0.32) TAOK1TRPM8NR1I2SLC18A3
SCHEMBL9568049 0.67 TBXAS1 (0.44) TAOK1ADRB3ALDH1A1MAPTSLC6A4
SCHEMBL3611898 0.66 PLAU (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0542203-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP claimed
EP-0542203-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP disclosed