SCHEMBL8557186

SCHEMBL8557186

O=S(=O)(CCC1CCNCC1)c1cccc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.49
▸ CHRM3 P20309 1/20 0.49
▸ EP300 Q09472 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ HTR6 P50406 3/20 0.39
▸ MBTD1 Q05BQ5 1/20 0.39
▸ L3MBTL3 Q96JM7 1/20 0.39
▸ SLC6A4 P31645 1/20 0.37
▸ HTR7 P34969 2/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ HTR1B P28222 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ CNR2 P34972 1/20 0.36
▸ CTSL P07711 2/20 0.36
▸ CTSK P43235 2/20 0.36
▸ ITGB3 P05106 1/20 0.36
▸ ITGA2B P08514 1/20 0.36
▸ NMT1 P30419 2/20 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
SCHEMBL8175074 0.83 CHRM1 (0.49) CHRM1CHRM3KMT2AHTR6SLC6A4
SCHEMBL30921566 0.75 LMNA (0.39) KMT2AHTR6MBTD1L3MBTL3HTR7
SCHEMBL26144979 0.75 LMNA (0.39) KMT2AHTR6MBTD1L3MBTL3HTR7
SCHEMBL6469248 0.75 CHRM1 (0.45) CHRM1CHRM3KMT2ASLC6A4CNR2
SCHEMBL8170812 0.74 CHRM1 (0.57) CHRM1CHRM3KMT2AHTR6SLC6A4
SCHEMBL522247 0.74 MBTD1 (0.44) KMT2AHTR6MBTD1L3MBTL3HTR7
SCHEMBL6011594 0.74 CRBN (0.46) CHRM1CHRM3KMT2ACNR2NMT1
SCHEMBL6011372 0.74 CHRM1 (0.44) CHRM1CHRM3KMT2ACNR2NMT1
SCHEMBL6469254 0.74 CHRM1 (0.44) CHRM1CHRM3KMT2ASLC6A4CNR2
SCHEMBL8555011 0.74 ALDH1A1 (0.51) CHRM1CHRM3KMT2AHTR6CNR2

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
EP-0832076-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-01 — — EP disclosed
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