SCHEMBL5771439

SCHEMBL5771439

COc1cccc(C2(CNS(C)(=O)=O)CCC(N3CCNCC3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.41
SOAT1 P35610 4/20 0.40
ADRB1 P08588 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
GUSB P08236 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SIGMAR1 Q99720 2/20 0.37

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
SCHEMBL5771434 1.00 HTR6 (0.41) HTR6SOAT1ADRB1ALDH1A1MTNR1A
Hydrochloric Acid SCHEMBL4880495 0.99 HTR6 (0.40) HTR6SOAT1ADRB1ALDH1A1MTNR1A
Hydrochloric Acid SCHEMBL4872697 0.99 HTR6 (0.40) HTR6SOAT1ADRB1ALDH1A1MTNR1A
Hydrochloric Acid SCHEMBL4872712 0.99 HTR6 (0.40) HTR6SOAT1ADRB1ALDH1A1MTNR1A
SCHEMBL14194845 0.92 SOAT1 (0.42) HTR6SOAT1ALDH1A1MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL4870740 0.91 SOAT1 (0.41) HTR6SOAT1ALDH1A1MTNR1AMTNR1B
SCHEMBL4877681 0.89 SOAT1 (0.46) HTR6SOAT1ALDH1A1MTNR1AMTNR1B
SCHEMBL4877679 0.89 SOAT1 (0.46) HTR6SOAT1ALDH1A1MTNR1AMTNR1B
SCHEMBL4878278 0.85 SOAT1 (0.48) SOAT1ALDH1A1MTNR1AMTNR1BMEN1
SCHEMBL14194844 0.84 HTR2C (0.39) HTR6SOAT1ALDH1A1MTNR1AMTNR1B

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-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 EP disclosed