SCHEMBL30557943

SCHEMBL30557943

O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(-c2nc3ccccn3c2CN2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.81
▸ GAA P10253 3/20 0.64
▸ REV1 Q9UBZ9 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ KCNK3 O14649 6/20 0.52
▸ KCNK9 Q9NPC2 6/20 0.52
▸ TSHR P16473 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ CA12 O43570 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ CA7 P43166 1/20 0.52
▸ ME2 P23368 1/20 0.51
▸ ME1 P48163 1/20 0.51
▸ ME3 Q16798 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ SLC2A1 P11166 1/20 0.51
▸ SLC27A1 Q6PCB7 1/20 0.50

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
SCHEMBL30557946 0.96 CYP3A4 (0.76) CYP3A4GAAREV1LMNAMAPT
SCHEMBL30557940 0.96 CYP3A4 (0.76) CYP3A4GAAREV1LMNAMAPT
SCHEMBL30557923 0.92 CYP3A4 (0.71) CYP3A4GAAKCNK3KCNK9KDM4E
SCHEMBL30557935 0.90 CYP3A4 (0.67) CYP3A4GAALMNAMAPTKCNK3
SCHEMBL30557939 0.89 CYP3A4 (0.67) CYP3A4GAALMNAMAPTKCNK3
SCHEMBL30557924 0.88 CYP3A4 (0.66) CYP3A4GAAKCNK3KCNK9KDM4E
SCHEMBL30557932 0.88 CYP3A4 (0.65) CYP3A4GAALMNAMAPTKCNK3
SCHEMBL30557930 0.83 CYP3A4 (0.60) CYP3A4GAALMNAMAPTKCNK3
SCHEMBL30557938 0.81 CYP3A4 (0.58) CYP3A4GAAKCNK3KCNK9KDM4E
SCHEMBL30557925 0.81 CYP3A4 (0.60) CYP3A4GAAKCNK3KCNK9KDM4E

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
CN-115160313-B 2-phenylimidazole [1,2-a ] pyridine compound, composition containing same and application of 2-phenylimidazole [1,2-a ] pyridine compound and composition 中国药科大学 2023-09-05 — — CN disclosed
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