SCHEMBL8893936

SCHEMBL8893936

O=CC(N1CCC(CO)CC1)n1c(=O)sc2ccc(Br)cc21

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ OPRM1 P35372 1/20 0.30

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
SCHEMBL8892087 0.83 USP14 (0.33) —
Hydrochloric Acid SCHEMBL8902350 0.82 SIGMAR1 (0.36) SIGMAR1
Hydrochloric Acid SCHEMBL8893472 0.82 TMEM97 (0.40) SIGMAR1
SCHEMBL8902759 0.81 SIGMAR1 (0.36) SIGMAR1
SCHEMBL8903400 0.76 SIGMAR1 (0.40) SIGMAR1
SCHEMBL8894442 0.76 — —
SCHEMBL8892587 0.75 MAPK8 (0.32) —
SCHEMBL8902537 0.75 SIGMAR1 (0.35) SIGMAR1OPRM1
SCHEMBL10656985 0.75 TMEM97 (0.40) —
SCHEMBL8894636 0.74 — —

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
WO-1997043282-A2 BENZOTHIAZOLINONES AS ANTI-ASTHMATIC AGENTS KLINGE PHARMA GMBH (DE) 1997-11-20 — — WO disclosed
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