SCHEMBL8650691

SCHEMBL8650691

CN(C)c1ccccc1-c1ccc(C(c2ccccc2)c2ccc(COCc3ccc(C(c4ccccc4)c4ccc(-c5ccccc5N(C)C)cc4)cc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.40
TSHR P16473 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
GRM5 P41594 1/20 0.36
LYPLA1 O75608 1/20 0.35
LYPLA2 O95372 1/20 0.35
TACR1 P25103 8/20 0.34
CACNA1F O60840 1/20 0.34
CACNA1D Q01668 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
IDO1 P14902 2/20 0.33
AGXT P21549 2/20 0.33
NSD2 O96028 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL1376445 0.80 GRM5 (0.33) CNR2GRM5TACR1NSD2ALDH1A1
SCHEMBL1832190 0.79 SLC6A2 (0.40) CNR2TSHRRXRARXRBGRM5
SCHEMBL19698852 0.73 MAPT (0.47) TSHRRXRARXRBGRM5TACR1
SCHEMBL1376447 0.72 ALDH1A1 (0.35) CNR2RXRARXRBGRM5KDM4E
SCHEMBL1254512 0.71 ALDH1A1 (0.45) TSHRGRM5TACR1KDM4EMEN1
SCHEMBL29433183 0.71 ALDH1A1 (0.45) TSHRGRM5TACR1KDM4EMEN1
SCHEMBL4909538 0.71 ALDH1A1 (0.46) CNR2KDM4ENSD2ALDH1A1EGFR
SCHEMBL6407505 0.70 MAPT (0.37) GRM5MEN1KMT2ANSD2ALDH1A1
SCHEMBL14378836 0.69 TSHR (0.42) CNR2TSHRTACR1CACNA1FCACNA1D
SCHEMBL30763243 0.69 ALDH1A1 (0.44) TSHRGRM5TACR1KDM4EMEN1

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-0630758-B1 Heat-sensitive recording material MITSUBISHI PAPER MILLS LTD (JP) 1998-10-07 EP disclosed
US-5466655-A STORAGE STABILITY MITSUBISHI PAPER MILLS LIMITED (JP) 1995-11-14 US disclosed
EP-0630758-A2 Heat-sensitive recording material MITSUBISHI PAPER MILLS, LTD. (JP) 1994-12-28 EP disclosed