SCHEMBL28711975

SCHEMBL28711975

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

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 11/20 0.63
▸ BACE1 P56817 1/20 0.57
▸ BACE2 Q9Y5Z0 1/20 0.57
▸ NAMPT P43490 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ TACR2 P21452 3/20 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
SCHEMBL28716279 0.90 EPHX2 (0.60) EPHX2NAMPTLMNAMAPTPKM
SCHEMBL28701513 0.89 MAPT (0.62) EPHX2NAMPTLMNAMAPTPKM
SCHEMBL28936808 0.88 LMNA (0.57) EPHX2NAMPTLMNAMAPTPKM
SCHEMBL28716273 0.88 SMN1; SMN2 (0.66) EPHX2NAMPTLMNAMAPTPKM
SCHEMBL28936778 0.88 EPHX2 (0.60) EPHX2NAMPTLMNAMAPTPKM
SCHEMBL28716265 0.86 MAPT (0.61) EPHX2NAMPTLMNAMAPTPKM
SCHEMBL28720599 0.83 MAPT (0.80) EPHX2LMNAMAPTPKMTACR2
SCHEMBL28713910 0.81 POLB (0.57) NAMPTLMNA
SCHEMBL448435 0.79 KDR (0.54) EPHX2
SCHEMBL6108840 0.77 MCHR1 (0.68) EPHX2BACE1BACE2LMNA

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
Send feedback