SCHEMBL30855058

SCHEMBL30855058

CN1CCN(c2ccc(CNc3ccccc3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.60
▸ MAPT P10636 3/20 0.60
▸ ALOX15 P16050 3/20 0.60
▸ ALOX12 P18054 3/20 0.60
▸ MAPK1 P28482 2/20 0.60
▸ GFER P55789 2/20 0.60
▸ L3MBTL1 Q9Y468 3/20 0.59
▸ NCF1 P14598 1/20 0.57
▸ HTR6 P50406 4/20 0.56
▸ HRH4 Q9H3N8 2/20 0.56
▸ HTR2A P28223 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ SIRT6 Q8N6T7 1/20 0.53
▸ MAOA P21397 1/20 0.52
▸ MAOB P27338 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ MEN1 O00255 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
SCHEMBL30854966 0.85 L3MBTL1 (0.62) GAAMAPTALOX15ALOX12MAPK1
SCHEMBL30855008 0.85 MAPT (0.63) GAAMAPTALOX15ALOX12MAPK1
SCHEMBL3063745 0.85 GAA (0.70) GAAMAPTALOX15ALOX12MAPK1
SCHEMBL30854971 0.84 HRH4 (0.56) GAAMAPTALOX15ALOX12MAPK1
SCHEMBL30854988 0.83 L3MBTL1 (0.73) GAAMAPTALOX15ALOX12MAPK1
SCHEMBL16102439 0.79 CHKA (0.71) GAAMAPTALOX15ALOX12MAPK1
SCHEMBL24641958 0.79 HTR6 (0.62) GAAMAPTALOX15ALOX12MAPK1
SCHEMBL30277672 0.78 CA1 (0.61) GAAMAPTALOX15ALOX12MAPK1
SCHEMBL3440204 0.78 NCF1 (0.87) GAAMAPTGFERL3MBTL1NCF1
SCHEMBL7582559 0.78 NCF1 (0.57) GAAMAPTGFERNCF1HTR6

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-117916237-A Amino aryl integrin agonist compounds 德克萨斯心脏研究所 2024-04-19 — — CN claimed
CN-117916237-A Amino aryl integrin agonist compounds 德克萨斯心脏研究所 2024-04-19 — — CN disclosed
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