SCHEMBL9908983

SCHEMBL9908983

CCN(CC)c1ccc(C(c2ccc(N(CC)Cc3ccccc3)cc2)c2ccc(N(CC)Cc3cccc(C)c3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
CNR2 P34972 12/20 0.51
CYP2C19 P33261 1/20 0.50
CNR1 P21554 7/20 0.45
S1PR1 P21453 3/20 0.45
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
NR3C1 P04150 1/20 0.42

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
SCHEMBL9908980 0.94 TSHR (0.51) TSHRCNR2CYP2C19CNR1S1PR1
SCHEMBL9908985 0.89 S1PR1 (0.47) TSHRCNR2CYP2C19CNR1S1PR1
SCHEMBL5011841 0.89 TSHR (0.70) TSHRCNR2CYP2C19CNR1NR1H2
SCHEMBL3905890 0.85 TSHR (0.70) TSHRCNR2CYP2C19CNR1NR1H2
SCHEMBL9908981 0.84 MAPT (0.44) TSHRCNR2CYP2C19
SCHEMBL9968784 0.83 CNR2 (0.52) CNR2CNR1S1PR1
SCHEMBL5010079 0.81 TSHR (0.64) TSHRCNR2CYP2C19CNR1NR1H2
SCHEMBL26772615 0.81 CNR2 (0.52) CNR2CNR1S1PR1
SCHEMBL13824335 0.81 TSHR (0.46) TSHRCNR2CNR1S1PR1NR1H2
SCHEMBL19650671 0.80 CNR2 (0.52) TSHRCNR2CNR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8999912-B2 Detergent compositions THE PROCTER & GAMBLE COMPANY (US) 2015-04-07 US disclosed
US-8193143-B2 Laundry detergent composition comprising a highly water-soluble carboxymethyl cellulose particle THE PROCTER & GAMBLE COMPANY (US) 2012-06-05 US disclosed
US-20110034365-A1 Laundry Detergent Composition Comprising a Highly Water-Soluble Carboxymethyl Cellulose Particle THE PROCTER & GAMBLE COMPANY 2011-02-10 US disclosed