SCHEMBL3402972

SCHEMBL3402972

Cc1cccc(S(=O)(=O)NCC(C)C)c1N1CC[C@H](CO)C1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.42
▸ SLC6A9 P48067 11/20 0.39
▸ RORC P51449 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ NR3C1 P04150 1/20 0.36
▸ LDHA P00338 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ EPHX2 P34913 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
SCHEMBL1688137 0.77 SLC6A2 (0.44) SMN1; SMN2EPHX2
SCHEMBL1688142 0.70 KHK (0.50) SMN1; SMN2EPHX2
SCHEMBL9229962 0.69 ALDH1A1 (0.45) LMNA
SCHEMBL15352816 0.69 PKM (0.49) CNR2
SCHEMBL15160352 0.63 SLC6A2 (0.43) LMNASMN1; SMN2
SCHEMBL21465864 0.63 CA12 (0.52) SLC6A9
SCHEMBL21287875 0.62 ALDH1A1 (0.42) SMN1; SMN2
SCHEMBL15621005 0.62 GBA1 (0.63) —
SCHEMBL15158792 0.62 SLC6A2 (0.40) SMN1; SMN2
SCHEMBL13684206 0.60 SLC6A9 (0.57) SLC6A9

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-1863477-B1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2010-11-03 — — EP disclosed
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