SCHEMBL20548795

SCHEMBL20548795

COCC(C)(C)N1CCN(Cc2ccc(B(O)O)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.44
OPRM1 P35372 2/20 0.44
LPL P06858 2/20 0.37
LIPG Q9Y5X9 2/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL19099723 0.88 SIGMAR1 (0.43) SIGMAR1OPRM1ALDH1A1TSHRLMNA
SCHEMBL3663957 0.83 LPL (0.43) SIGMAR1OPRM1LPLLIPGALDH1A1
SCHEMBL1089165 0.81 SIGMAR1 (0.61) SIGMAR1OPRM1LMNAPOLBMEN1
SCHEMBL27934011 0.75 ALDH1A1 (0.62) SIGMAR1LPLLIPGALDH1A1TSHR
SCHEMBL2320439 0.75 LMNA (0.61) LPLLIPGALDH1A1LMNAHRH3
SCHEMBL28440571 0.74 LMNA (0.53) ALDH1A1LMNAHRH3
SCHEMBL20548515 0.74 LPL (0.42) SIGMAR1OPRM1LPLLIPGSMN1; SMN2
Hydrochloric Acid SCHEMBL21747953 0.73 LMNA (0.59) LPLLIPGALDH1A1LMNAHRH3
SCHEMBL2557827 0.72 HRH3 (0.65) ALDH1A1POLBSMN1; SMN2HRH3
SCHEMBL29951850 0.72 LPL (0.50) SIGMAR1LPLLIPGALDH1A1LMNA

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
EP-3398598-B1 SULFONAMIDE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF HITGEN INC (CN) 2022-04-06 EP disclosed
EP-3398598-A1 SULFONAMIDE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF Hitgen Ltd. (CN) 2018-11-07 EP disclosed