SCHEMBL8777652

SCHEMBL8777652

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.44
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
CNR1 P21554 4/20 0.42
S1PR1 P21453 2/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
GRIA2 P42262 1/20 0.36
S100B P04271 1/20 0.36

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 0.81 TSHR (0.54) CNR2TSHRCYP2C19CNR1S1PR1
SCHEMBL8777576 0.81 CNR2 (0.45) CNR2TSHRCYP2C19CNR1NR1H2
SCHEMBL9483197 0.78 TSHR (0.53) CNR2TSHRCYP2C19CNR1S1PR1
SCHEMBL5011777 0.78 TSHR (0.56) CNR2TSHRCYP2C19CNR1S1PR1
SCHEMBL12680403 0.78 CYP2C19 (0.50) CNR2TSHRCYP2C19CNR1S1PR1
SCHEMBL8777599 0.76 S100B (0.44) TSHRS1PR1S100B
SCHEMBL11104541 0.76 TSHR (0.51) CNR2TSHRCYP2C19CNR1S1PR1
SCHEMBL11520299 0.76 CYP2C19 (0.51) CNR2TSHRCYP2C19S1PR1NR1H2
SCHEMBL8777548 0.76 MAPK1 (0.39) CNR2CYP2C19S1PR1S100B
SCHEMBL10779688 0.76 CYP2C19 (0.54) CNR2TSHRCYP2C19S1PR1NR1H2

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
EP-0587184-B1 Pressure sensitive recording materials NEW OJI PAPER CO LTD (JP) 1997-12-29 EP disclosed
US-5478793-A Basic dye-containing layer and color accetpor-containing layer formed on same or different surfaces; basic dye enclosed in synthetic polymer microcapsules, color acceptor is activated clay containing silica KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1995-12-26 US disclosed
EP-0587184-A2 Pressure sensitive recording materials NEW OJI PAPER CO., LTD. (JP) 1994-03-16 EP disclosed