SCHEMBL5981600

SCHEMBL5981600

CNS(=O)(=O)c1cc(C(=O)CCCCN(C)CCc2ccccc2Cl)cc2c1OCC2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
PKLR P30613 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
TP53 P04637 1/20 0.33
NRP1 O14786 5/20 0.32
TAAR1 Q96RJ0 1/20 0.32
BCHE P06276 2/20 0.32
ACHE P22303 2/20 0.32
HTT P42858 1/20 0.32
AOC3 Q16853 1/20 0.31
MTNR1A P48039 1/20 0.31
SLC6A9 P48067 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
Hydrochloric Acid SCHEMBL4852562 0.99 PTGS1 (0.38) PTGS1PTGS2MAPTALDH1A1MAPK1
SCHEMBL4888444 0.91 PTGS1 (0.37) PTGS1PTGS2MAPTALDH1A1MAPK1
SCHEMBL5982205 0.91 PTGS1 (0.37) PTGS1PTGS2MAPTPKLRSMN1; SMN2
Hydrochloric Acid SCHEMBL4858674 0.90 PTGS1 (0.36) PTGS1PTGS2MAPTPKLRSMN1; SMN2
SCHEMBL5982479 0.90 PTGS1 (0.39) PTGS1PTGS2TAAR1BCHEACHE
SCHEMBL5983138 0.90 PTGS1 (0.39) PTGS1PTGS2MAPTALDH1A1MAPK1
Hydrochloric Acid SCHEMBL4859445 0.89 PTGS1 (0.39) PTGS1PTGS2TAAR1BCHEACHE
Hydrochloric Acid SCHEMBL4853654 0.89 PTGS1 (0.39) PTGS1PTGS2MAPTALDH1A1MAPK1
SCHEMBL5982519 0.88 BCHE (0.39) PTGS1PTGS2TAAR1BCHEACHE
SCHEMBL4855552 0.88 PTGS1 (0.37) PTGS1PTGS2MAPTALDH1A1MAPK1

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-7138533-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-21 US claimed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed