SCHEMBL30456054

SCHEMBL30456054

O=C(O)N1CCC2(CC1)CCN(c1ccc(Br)c(C(F)F)n1)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 6/20 0.39
▸ ALDH1A1 P00352 8/20 0.38
▸ CYP2C19 P33261 7/20 0.38
▸ CYP2C9 P11712 6/20 0.38
▸ HSD17B10 Q99714 6/20 0.38
▸ HPGD P15428 3/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.38
▸ CYP3A4 P08684 8/20 0.38
▸ TSHR P16473 6/20 0.38
▸ MAPK1 P28482 7/20 0.37
▸ SMN1; SMN2 Q16637 6/20 0.37
▸ CYP1A2 P05177 4/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CYP2D6 P10635 5/20 0.37
▸ TP53 P04637 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ HIF1A Q16665 2/20 0.36
▸ ITGB3 P05106 2/20 0.36
▸ ITGA2B P08514 2/20 0.36

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
SCHEMBL25393922 0.89 AKR1C3 (0.39) ALDH1A1HSD17B10HPGDMAPK1SMN1; SMN2
SCHEMBL30338079 0.83 GPR119 (0.45) ALDH1A1CYP2C19CYP2C9HSD17B10CYP3A4
SCHEMBL25407146 0.83 GPR119 (0.45) ALDH1A1CYP2C19CYP2C9HSD17B10CYP3A4
SCHEMBL25248226 0.71 MAP4K4 (0.52) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL30480339 0.71 MAP4K4 (0.52) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL21855186 0.68 HSD17B10 (0.48) USP2ALDH1A1CYP2C19CYP2C9HSD17B10
SCHEMBL641121 0.67 CYP2C9 (0.75) USP2ALDH1A1CYP2C19CYP2C9HSD17B10
SCHEMBL25411360 0.67 DGAT1 (0.32) ITGB3ITGA2B
SCHEMBL30503535 0.67 DGAT1 (0.32) ITGB3ITGA2B
SCHEMBL29024380 0.66 — —

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-4192588-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2023-06-14 — — EP disclosed
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