SCHEMBL9908985

SCHEMBL9908985

CCN(CC)c1ccc(C(c2ccc(N(CC)Cc3ccccc3)cc2)c2ccc(N(CC)Cc3cccc(C)c3)cc2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.47
TSHR P16473 1/20 0.47
CNR2 P34972 8/20 0.44
CYP2C19 P33261 1/20 0.43
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
CNR1 P21554 4/20 0.40
GRIA2 P42262 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL5011808 0.91 TSHR (0.54) S1PR1TSHRCNR2CYP2C19NR1H2
SCHEMBL9908983 0.89 TSHR (0.55) S1PR1TSHRCNR2CYP2C19NR1H2
SCHEMBL9483197 0.88 TSHR (0.53) S1PR1TSHRCNR2CYP2C19NR1H2
SCHEMBL11104541 0.86 TSHR (0.51) S1PR1TSHRCNR2CYP2C19NR1H2
SCHEMBL9968786 0.86 THRB (0.47) S1PR1CNR2CNR1
SCHEMBL6252652 0.85 TSHR (0.53) S1PR1TSHRCNR2CYP2C19NR1H2
SCHEMBL5011777 0.85 TSHR (0.56) S1PR1TSHRCNR2CYP2C19NR1H2
SCHEMBL9908980 0.83 TSHR (0.51) S1PR1TSHRCNR2CYP2C19NR1H2
SCHEMBL5011923 0.83 TSHR (0.48) S1PR1TSHRCNR2CYP2C19NR1H2
SCHEMBL11520299 0.81 CYP2C19 (0.51) S1PR1TSHRCNR2CYP2C19NR1H2

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