SCHEMBL3518062

SCHEMBL3518062

CCCCCCCCC(C(=O)[SiH3])(c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.44
DRD3 P35462 2/20 0.44
DRD2 P14416 1/20 0.44
GAA P10253 1/20 0.43
SCN5A Q14524 3/20 0.43
SCN9A Q15858 3/20 0.43
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
NAAA Q02083 1/20 0.41
DRD4 P21917 1/20 0.41
LMNA P02545 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
SCN1A P35498 2/20 0.40
SCN2A Q99250 2/20 0.40
SCN3A Q9NY46 2/20 0.40
KIF11 P52732 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
SCHEMBL20564993 0.86 OPRM1 (0.46) OPRM1DRD3DRD2GAASCN5A
SCHEMBL5705335 0.86 OPRM1 (0.46) OPRM1DRD3DRD2GAASCN5A
SCHEMBL5147680 0.86 OPRM1 (0.46) OPRM1DRD3DRD2GAASCN5A
SCHEMBL31112166 0.86 OPRM1 (0.46) OPRM1DRD3DRD2GAASCN5A
SCHEMBL5146639 0.86 OPRM1 (0.46) OPRM1DRD3DRD2GAASCN5A
SCHEMBL3923946 0.86 OPRM1 (0.46) OPRM1DRD3DRD2GAASCN5A
SCHEMBL7005929 0.86 OPRM1 (0.46) OPRM1DRD3DRD2GAASCN5A
SCHEMBL7025068 0.86 OPRM1 (0.46) OPRM1DRD3DRD2GAASCN5A
SCHEMBL4775572 0.84 OPRM1 (0.47) OPRM1DRD3DRD2GAASCN5A
SCHEMBL7056880 0.84 SCN1A (0.48) OPRM1DRD3DRD2GAASCN5A

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-8765688-B2 Anti-dandruff compositions containing peptides BASF SE (DE) 2014-07-01 US disclosed
US-20100310644-A1 ANTI-DANDRUFF COMPOSITIONS CONTAINING PEPTIDES BASF ,Trademarks and Licenses (DE) 2010-12-09 US disclosed