SCHEMBL8903400

SCHEMBL8903400

CN(C)CCN1CCN(C(C=O)n2c(=O)sc3ccc(Br)cc32)CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.40
▸ HTR7 P34969 3/20 0.35
▸ ACHE P22303 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ TMEM97 Q5BJF2 1/20 0.32
▸ HTR1A P08908 1/20 0.31
▸ HTR2C P28335 1/20 0.31

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
SCHEMBL8902716 0.91 SIGMAR1 (0.38) SIGMAR1HTR7TMEM97
SCHEMBL8902537 0.88 SIGMAR1 (0.35) SIGMAR1HTR7TMEM97HTR1AHTR2C
SCHEMBL8909521 0.88 SIGMAR1 (0.32) SIGMAR1ACHEP2RX7TMEM97HTR1A
SCHEMBL8902245 0.82 TMEM97 (0.47) SIGMAR1HTR7ACHETMEM97HTR1A
SCHEMBL8893936 0.76 SIGMAR1 (0.31) SIGMAR1
Hydrochloric Acid SCHEMBL8893472 0.76 TMEM97 (0.40) SIGMAR1TMEM97
Hydrochloric Acid SCHEMBL8902350 0.76 SIGMAR1 (0.36) SIGMAR1
SCHEMBL10974768 0.74 TMEM97 (0.47) SIGMAR1HTR7TMEM97HTR1AHTR2C
SCHEMBL8894960 0.73 TMEM97 (0.49) SIGMAR1HTR7TMEM97HTR1A
SCHEMBL8903391 0.73 GAA (0.53) SIGMAR1

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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