SCHEMBL8140123

SCHEMBL8140123

COC(=O)c1ccc(C2N=C(SC)NC(COCCN3CCCCC3)=C2C(=O)OCCCc2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.39
▸ CHRNB4 P30926 2/20 0.39
▸ CHRNA3 P32297 2/20 0.39
▸ CHRNA4 P43681 2/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ BCHE P06276 5/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ APAF1 O14727 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HTR4 Q13639 1/20 0.36

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
SCHEMBL8135050 0.93 SMN1; SMN2 (0.45) SMN1; SMN2CYP2D6KDM4EHRH3BCHE
SCHEMBL8142281 0.92 ALDH1A1 (0.46) SMN1; SMN2KDM4EHRH3BCHEALDH1A1
SCHEMBL8147315 0.92 SMN1; SMN2 (0.43) HRH1SMN1; SMN2KDM4EHRH3BCHE
SCHEMBL8134448 0.92 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EHRH3BCHEALDH1A1
SCHEMBL8134355 0.91 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EHRH3BCHEALDH1A1
SCHEMBL8134351 0.91 BCHE (0.42) HRH1SMN1; SMN2HRH3BCHEALDH1A1
SCHEMBL8149697 0.91 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EHRH3BCHEALDH1A1
SCHEMBL8142969 0.90 BCHE (0.45) SMN1; SMN2KDM4EHRH3BCHEALDH1A1
SCHEMBL8143614 0.89 SMN1; SMN2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL8140580 0.89 HTR1A (0.42) HRH1SMN1; SMN2KDM4EHRH3BCHE

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
US-6057332-A Substituted 1,4-dihydropyrimidine-5-carboxylate compounds, their preparation and uses ASTRA AKTIEBOLAG (SE) 2000-05-02 — — US claimed
US-6057332-A Substituted 1,4-dihydropyrimidine-5-carboxylate compounds, their preparation and uses ASTRA AKTIEBOLAG (SE) 2000-05-02 — — US disclosed
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