SCHEMBL13987399

SCHEMBL13987399

CN(CCCCC(=O)c1ccc2c(c1)CC(NS(C)(=O)=O)C2)CCc1ccccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APOB P04114 6/20 0.38
MTTP P55157 6/20 0.38
MCHR1 Q99705 2/20 0.38
NR1H2 P55055 3/20 0.37
TAAR1 Q96RJ0 1/20 0.34
ACHE P22303 3/20 0.33
BCHE P06276 2/20 0.33
GRIA2 P42262 2/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33

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
Hydrochloric Acid SCHEMBL4859192 0.99 APOB (0.38) APOBMTTPMCHR1NR1H2TAAR1
SCHEMBL13987431 0.88 APOB (0.41) APOBMTTPACHEBCHESIGMAR1
SCHEMBL13987741 0.87 MCHR1 (0.50) APOBMTTPMCHR1TAAR1ACHE
Hydrochloric Acid SCHEMBL4851433 0.87 BCHE (0.41) APOBMTTPACHEBCHESIGMAR1
SCHEMBL13987756 0.86 MCHR1 (0.36) MCHR1TAAR1ACHEBCHETMEM97
SCHEMBL13987439 0.86 SLC2A1 (0.40) APOBMTTPMCHR1NR1H2GRIA2
Hydrochloric Acid SCHEMBL4862226 0.86 MCHR1 (0.49) APOBMTTPMCHR1TAAR1ACHE
Hydrochloric Acid SCHEMBL4852505 0.86 SLC2A1 (0.39) APOBMTTPMCHR1NR1H2PSEN1
SCHEMBL13987752 0.83 MCHR1 (0.39) MCHR1TAAR1ACHEBCHETMEM97
SCHEMBL13987531 0.79 MCHR1 (0.51) MCHR1ACHE

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
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed