SCHEMBL30080355

SCHEMBL30080355

CN(Cc1ccccc1C#N)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 12/20 0.53
▸ NOS3 P29474 11/20 0.53
▸ NOS1 P29475 11/20 0.53
▸ ALDH1A1 P00352 3/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ SLC6A2 P23975 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ HRH4 Q9H3N8 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL28918892 0.81 NOS2 (0.74) NOS2NOS3NOS1ALDH1A1LMNA
SCHEMBL28918894 0.81 NOS2 (0.77) NOS2NOS3NOS1
SCHEMBL28918890 0.81 NOS2 (0.56) NOS2NOS3NOS1ALDH1A1SLC6A2
Hydrochloric Acid SCHEMBL28918863 0.80 NOS2 (0.73) NOS2NOS3NOS1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL28918865 0.80 NOS2 (0.55) NOS2NOS3NOS1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL28918861 0.80 NOS2 (0.76) NOS2NOS3NOS1
SCHEMBL365219 0.76 ALDH1A1 (0.55) ALDH1A1LMNAMAPTSMN1; SMN2SLC6A2
Hydrochloric Acid SCHEMBL11686957 0.75 LMNA (0.55) ALDH1A1LMNAMAPTSMN1; SMN2SLC6A2
Hydrochloric Acid SCHEMBL5154357 0.75 ALDH1A1 (0.54) ALDH1A1LMNAMAPTSMN1; SMN2SLC6A2
Hydrochloric Acid SCHEMBL11685187 0.75 LMNA (0.55) ALDH1A1LMNAMAPTSMN1; SMN2SLC6A2

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-115518058-A Application of N-cycloalkyl substituted aromatic methylamine compound in preparation of antiviral drug, structure and preparation method 河北医科大学 2022-12-27 — — CN disclosed
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