SCHEMBL22878293

SCHEMBL22878293

CN(Cc1ccc(Oc2ccccc2)cc1)C1CCN(I)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 6/20 0.56
▸ PRMT5 O14744 1/20 0.44
▸ WDR77 Q9BQA1 1/20 0.44
▸ HRH3 Q9Y5N1 2/20 0.44
▸ HRH4 Q9H3N8 1/20 0.44
▸ AGTR2 P50052 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ NAAA Q02083 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ PKM P14618 1/20 0.42

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
SCHEMBL17285945 0.89 LTA4H (0.56) LTA4HPRMT5WDR77HRH3HRH4
SCHEMBL8825962 0.88 LTA4H (0.54) LTA4HHRH3HRH4NAAAGRIN2B
SCHEMBL17284599 0.88 LTA4H (0.55) LTA4HPRMT5WDR77HRH3HRH4
SCHEMBL22878155 0.87 GRIN2B (0.52) LTA4HHRH3HRH4AGTR2KDM4E
SCHEMBL8826104 0.85 HRH3 (0.61) LTA4HPRMT5WDR77HRH3HRH4
SCHEMBL17282063 0.85 LTA4H (0.53) LTA4HPRMT5WDR77HRH3HRH4
SCHEMBL8826398 0.84 HRH3 (0.64) LTA4HPRMT5WDR77HRH3HRH4
SCHEMBL22878382 0.81 HTR2A (0.46) PRMT5WDR77HRH3HRH4
SCHEMBL22878461 0.80 HTR2A (0.48) PRMT5WDR77HRH3HRH4ALDH1A1
SCHEMBL22878464 0.79 SLC6A2 (0.61) —

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-3145929-B1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS HOFFMANN LA ROCHE (CH) 2021-01-13 — — EP disclosed
Send feedback