SCHEMBL25438423

SCHEMBL25438423

O=C(Oc1cccc(Br)n1)N1CCCCC1C(F)F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 6/20 0.37
▸ MGLL Q99685 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ CDK5 Q00535 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ AADAT Q8N5Z0 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL23851277 0.74 MGLL (0.46) MGLLTSHRALDH1A1SMN1; SMN2HRH3
SCHEMBL23852183 0.71 NPC1 (0.50) MGLLALDH1A1SMN1; SMN2HRH3GAA
SCHEMBL23851279 0.68 MGLL (0.52) MGLLALDH1A1SMN1; SMN2HRH3KDM4E
SCHEMBL27973414 0.67 SMN1; SMN2 (0.41) MGLLALDH1A1SMN1; SMN2HRH3GAA
SCHEMBL21294369 0.65 HSD17B10 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL248107 0.64 HTR7 (0.42) TSHRALDH1A1KDM4EGAALMNA
SCHEMBL8772213 0.63 HTR7 (0.41) TSHRALDH1A1KDM4EGAALMNA
SCHEMBL27585578 0.63 HTR7 (0.45) TSHRALDH1A1KDM4EMAPK1LMNA
SCHEMBL5200121 0.63 MEN1 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL29806270 0.63 ALDH1A1 (0.41) MGLLALDH1A1SMN1; SMN2HRH3KDM4E

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
EP-4204415-A1 HETEROCYCLIC GLP-1 AGONISTS Gasherbrum Bio, Inc. (US) 2023-07-05 — — EP disclosed
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