SCHEMBL8903391

SCHEMBL8903391

CN(C)CCN1CCN(C(=O)Cn2c(=O)sc3ccc(Br)cc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ SIGMAR1 Q99720 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ NPY5R Q15761 15/20 0.44
▸ ACKR3 P25106 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL8902714 0.90 GAA (0.50) GAATSHRNPSR1SIGMAR1TDP1
SCHEMBL8902528 0.86 GAA (0.48) GAATSHRNPSR1SIGMAR1TDP1
SCHEMBL8902235 0.82 NPY5R (0.56) GAATSHRNPSR1SIGMAR1NPY5R
SCHEMBL8893932 0.79 NPY5R (0.51) GAATSHRNPSR1TDP1NPY5R
SCHEMBL8902755 0.78 NPY5R (0.43) GAATSHRNPSR1SIGMAR1TDP1
Hydrochloric Acid SCHEMBL8893467 0.77 TMEM97 (0.47) GAATSHRNPSR1NPY5R
Hydrochloric Acid SCHEMBL8902347 0.77 NPY5R (0.44) GAATSHRNPSR1SIGMAR1TDP1
SCHEMBL13696444 0.76 NPY5R (0.61) GAATSHRNPSR1TDP1NPY5R
Tiaramide SCHEMBL25172 0.74 NPY5R (0.58) GAATSHRNPSR1NPY5R
Tiaramide SCHEMBL29376518 0.74 NPY5R (0.58) GAATSHRNPSR1NPY5R

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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