SCHEMBL27780901

SCHEMBL27780901

Cc1ccc(CCN2CCC(Nc3nnc(C(F)(F)F)s3)CC2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ ACHE P22303 4/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KCNH2 Q12809 5/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA5A P35218 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA13 Q8N1Q1 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ EHMT2 Q96KQ7 1/20 0.35
▸ DNMT3A Q9Y6K1 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL3323191 0.90 DRD2 (0.52) DRD2DRD3ACHEMEN1KMT2A
SCHEMBL27802452 0.86 SSTR5 (0.46) DRD2DRD3MEN1KMT2AKCNH2
SCHEMBL27780900 0.82 MEN1 (0.51) ACHEMEN1KMT2ACA12CA1
SCHEMBL3323699 0.81 DRD2 (0.62) DRD2DRD3ACHEMEN1KMT2A
SCHEMBL27780878 0.79 CARM1 (0.50) MEN1KMT2AKCNH2
SCHEMBL13361813 0.79 DRD2 (0.53) DRD2DRD3ACHEMEN1KMT2A
SCHEMBL3322725 0.77 MEN1 (0.50) DRD2DRD3ACHEMEN1KMT2A
SCHEMBL3321651 0.73 PKM (0.61) ACHEMEN1KMT2ALMNAPKM
SCHEMBL27802446 0.70 CARM1 (0.46) ACHEMEN1KMT2AKCNH2
SCHEMBL3659492 0.69 DRD2 (0.46) DRD2DRD3KCNH2

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-101663299-A Thia (dia) zoles as fast dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV 2010-03-03 — — CN claimed
CN-101663299-A Thia (dia) zoles as fast dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV 2010-03-03 — — CN disclosed
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