SCHEMBL2851145

SCHEMBL2851145

CCCC1CN(c2ccccc2S(=O)(=O)O)CCN1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 9/20 0.41
DRD2 P14416 1/20 0.40
MYC P01106 1/20 0.40
HTR6 P50406 1/20 0.39
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA4 P22748 3/20 0.34
CA9 Q16790 3/20 0.34
REN P00797 1/20 0.33
BIRC2 Q13490 1/20 0.33

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
SCHEMBL2849210 0.82 MYC (0.45) DRD2MYCHTR6BIRC2
Water SCHEMBL5996484 0.81 MYC (0.44) DRD2MYCHTR6BIRC2
SCHEMBL6849293 0.78 HTR6 (0.43) ADRB1DRD2MYCHTR6
SCHEMBL6288232 0.78 HTR6 (0.43) ADRB1DRD2MYCHTR6CA2
SCHEMBL6847420 0.78 HDAC1 (0.41) ADRB1DRD2MYCHTR6
SCHEMBL6849062 0.76 RPS6KB1 (0.47) MYCHTR6
SCHEMBL6848056 0.75 LATS1 (0.40) ADRB1DRD2MYCHTR6
SCHEMBL11846933 0.74 HTR1A (0.42) ADRB1DRD2REN
SCHEMBL6847591 0.73 HTR6 (0.39) MYCHTR6
SCHEMBL8632814 0.72 HTR6 (0.67) ADRB1DRD2MYCHTR6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652017-B2 Remedies and/or preventives for nervous system disorders MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-01-26 US claimed
EP-1374868-A1 REMEDIES AND/OR PREVENTIVES FOR DIABETIC ISCHEMIC HEART DISEASES Mitsubishi Pharma Corporation (JP) 2004-01-02 EP claimed
EP-1374868-A1 REMEDIES AND/OR PREVENTIVES FOR DIABETIC ISCHEMIC HEART DISEASES Mitsubishi Pharma Corporation (JP) 2004-01-02 EP disclosed