SCHEMBL5042680

SCHEMBL5042680

C[S+]([O-])c1c(-c2ccccc2)nc2ccccc2c1C(=O)NCCC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
TACR2 P21452 8/20 0.45
TACR3 P29371 8/20 0.45
OPRM1 P35372 5/20 0.45
TP53 P04637 3/20 0.42
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL6626579 0.85 ALDH1A1 (0.56) LMNATACR2TACR3OPRM1TP53
SCHEMBL6625208 0.82 LMNA (0.53) LMNATACR2TACR3OPRM1TP53
SCHEMBL4449047 0.82 LMNA (0.69) LMNATACR3TP53MAPTALDH1A1
SCHEMBL5046700 0.80 LMNA (0.61) LMNATACR3TP53ALDH1A1HPGD
SCHEMBL1580933 0.80 TACR3 (0.62) TACR2TACR3OPRM1
SCHEMBL8190048 0.80 TACR3 (0.62) TACR2TACR3OPRM1
SCHEMBL7003424 0.80 LMNA (0.50) LMNATACR2TACR3OPRM1TP53
SCHEMBL4665926 0.79 LMNA (0.48) LMNATACR2TACR3OPRM1TP53
SCHEMBL4667076 0.79 LMNA (0.48) LMNATACR2TACR3OPRM1TP53
SCHEMBL6629503 0.79 LMNA (0.52) LMNATACR2TACR3OPRM1TP53

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
EP-1928835-A1 ALKYL SULFOXIDE QUINOLINES AS NK-3 RECEPTOR LIGANDS Astra Zeneca AB (SE) 2008-06-11 EP claimed
WO-2007035158-A1 ALKYL SULFOXIDE QUINOLINES AS NK-3 RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2007-03-29 WO claimed