SCHEMBL29902243

SCHEMBL29902243

O=C(O)CCc1c[nH]c2ccc(F)cc12

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MPO P05164 13/20 0.76
TSHR P16473 1/20 0.73
SLC6A4 P31645 3/20 0.70
HPGD P15428 1/20 0.69
CYP2C19 P33261 1/20 0.69
HTR2A P28223 1/20 0.63
TRPM8 Q7Z2W7 1/20 0.63
NOTUM Q6P988 2/20 0.63
MTNR1A P48039 1/20 0.63
MTNR1B P49286 1/20 0.63
HTR1A P08908 1/20 0.61
KMT2A Q03164 1/20 0.61
GPR84 Q9NQS5 1/20 0.61

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
SCHEMBL3655654 1.00 MPO (0.76) MPOTSHRSLC6A4HPGDCYP2C19
SCHEMBL4463073 0.92 MPO (0.68) MPOTSHRSLC6A4HPGDCYP2C19
SCHEMBL5203631 0.91 MPO (0.80) MPOTSHRSLC6A4HTR2ATRPM8
SCHEMBL5344966 0.90 MPO (0.80) MPOTSHRSLC6A4HTR2ATRPM8
SCHEMBL5338627 0.89 MPO (0.78) MPOTSHRSLC6A4HTR2ATRPM8
SCHEMBL5637957 0.88 HTR2A (0.63) MPOTSHRSLC6A4HPGDCYP2C19
SCHEMBL3220638 0.87 MPO (0.74) MPOTSHRSLC6A4HTR2ATRPM8
SCHEMBL2260803 0.84 TSHR (1.00) MPOTSHRSLC6A4HPGDHTR2A
Hydrochloric Acid SCHEMBL1372337 0.83 TSHR (0.97) MPOTSHRSLC6A4HPGDHTR2A
SCHEMBL1723364 0.83 NPSR1 (0.72) TSHRSLC6A4HPGDCYP2C19HTR2A

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
CN-118255830-A S1PR2 modulators and uses thereof 北京昌平实验室 2024-06-28 CN disclosed
EP-4076492-A1 PCSK9 ANTAGONIST COMPOUNDS Merck Sharp & Dohme LLC (US) 2022-10-26 EP disclosed