SCHEMBL27802452

SCHEMBL27802452

Fc1ccc(CCN2CCC(Nc3nnc(C(F)(F)F)s3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SSTR5 P35346 2/20 0.46
▸ KCNH2 Q12809 2/20 0.44
▸ NR4A2 P43354 1/20 0.44
▸ EHMT2 Q96KQ7 2/20 0.43
▸ DNMT3A Q9Y6K1 2/20 0.43
▸ HTR2A P28223 3/20 0.43
▸ HTR2C P28335 3/20 0.43
▸ HTR7 P34969 3/20 0.43
▸ HTR6 P50406 2/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MLNR O43193 1/20 0.42
▸ CACNA1F O60840 1/20 0.42
▸ EED O75530 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HLA-A P04439 1/20 0.42
▸ ERBB2 P04626 1/20 0.42

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
SCHEMBL3322725 0.89 MEN1 (0.50) SSTR5MEN1KMT2AGAADRD2
SCHEMBL3323699 0.79 DRD2 (0.62) SSTR5MEN1KMT2AGAADRD2
SCHEMBL3321651 0.78 PKM (0.61) MEN1KMT2ALMNAGAAMAPT
SCHEMBL13361813 0.78 DRD2 (0.53) SSTR5KCNH2MEN1KMT2AGAA
SCHEMBL3323191 0.77 DRD2 (0.52) SSTR5MEN1KMT2AGAADRD2
SCHEMBL3322115 0.73 ACHE (0.55) MEN1KMT2ALMNATP53SLC6A4
SCHEMBL12993065 0.71 HTR2A (0.59) HTR2AHTR2CHTR7HTR6
SCHEMBL3323359 0.71 CXCR3 (0.50) MEN1KMT2ACHRM4CHRM3DRD4
SCHEMBL5871773 0.68 KCNH2 (0.62) SSTR5KCNH2EHMT2DNMT3AHTR2A
SCHEMBL7724043 0.68 HTR2A (0.51) HTR2AHTR2CHTR7HTR6EED

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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