SCHEMBL8902250

SCHEMBL8902250

CN(C)CCCN1CCN(n2c(=O)sc3ccc(Cl)c(C=C=O)c32)CC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ SIGMAR1 Q99720 3/20 0.33
▸ TMEM97 Q5BJF2 2/20 0.32

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
SCHEMBL8894966 0.84 SIGMAR1 (0.35) SIGMAR1TMEM97
SCHEMBL8903406 0.82 ACHE (0.32) ACHEP2RX7
SCHEMBL8902245 0.61 TMEM97 (0.47) ACHESIGMAR1TMEM97
SCHEMBL8902235 0.60 NPY5R (0.56) SIGMAR1TMEM97
SCHEMBL6762041 0.60 ALOX15 (0.44) ACHEGRIN2BP2RX7
SCHEMBL9434876 0.59 ALOX15 (0.50) —
SCHEMBL27699518 0.59 — —
SCHEMBL30168198 0.58 TRPV4 (0.44) —
SCHEMBL9570335 0.57 SIGMAR1 (0.71) ACHEGRIN2BSIGMAR1TMEM97
Hydrochloric Acid SCHEMBL8869860 0.56 SIGMAR1 (0.69) ACHESIGMAR1TMEM97

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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