SCHEMBL28720599

SCHEMBL28720599

O=C(Nc1ccc(OCc2ccccc2)cc1)Nc1ncccc1C(=O)NCCCN1CCOCC1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.80
▸ LMNA P02545 1/20 0.80
▸ PKM P14618 1/20 0.80
▸ TACR2 P21452 11/20 0.63
▸ EPHX2 P34913 3/20 0.57
▸ ALDH1A1 P00352 2/20 0.54
▸ POLB P06746 1/20 0.52

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
SCHEMBL28701513 0.90 MAPT (0.62) MAPTLMNAPKMEPHX2ALDH1A1
SCHEMBL28716265 0.88 MAPT (0.61) MAPTLMNAPKMTACR2EPHX2
SCHEMBL28936808 0.85 LMNA (0.57) MAPTLMNAPKMEPHX2ALDH1A1
SCHEMBL28716279 0.85 EPHX2 (0.60) MAPTLMNAPKMEPHX2ALDH1A1
SCHEMBL28716273 0.85 SMN1; SMN2 (0.66) MAPTLMNAPKMEPHX2ALDH1A1
SCHEMBL28936778 0.85 EPHX2 (0.60) MAPTLMNAPKMEPHX2
SCHEMBL28711975 0.83 EPHX2 (0.63) MAPTLMNAPKMTACR2EPHX2
SCHEMBL28713910 0.78 POLB (0.57) LMNAALDH1A1POLB
SCHEMBL1331028 0.77 KDM4E (0.53) MAPTLMNAPKMALDH1A1POLB
SCHEMBL26307712 0.76 MAPT (0.65) MAPTLMNAPKMTACR2EPHX2

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-113979936-A 2-aryl ureido-N- [3- (4-morpholinyl) propyl ] nicotinamide compound and application thereof 沈阳药科大学 2022-01-28 — — CN claimed
CN-113979936-A 2-aryl ureido-N- [3- (4-morpholinyl) propyl ] nicotinamide compound and application thereof 沈阳药科大学 2022-01-28 — — CN disclosed
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