SCHEMBL9838241

SCHEMBL9838241

CCCN(CCC)c1ccc(C(=CC(C=C(c2ccc(N(CCC)CCC)cc2)c2ccc(N(CCC)CCC)cc2)C(C(=O)c2ccccc2)C(=O)c2ccccc2)c2ccc(N(CCC)CCC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EGFR P00533 3/20 0.40
ERBB2 P04626 3/20 0.40
ESRRG P62508 3/20 0.40
PGR P06401 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ADRB2 P07550 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 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
SCHEMBL9839527 0.93 CNR2 (0.45) CNR2L3MBTL1EGFRERBB2PGR
SCHEMBL9839532 0.90 CNR2 (0.48) CNR2L3MBTL1ESRRGPGRADRA2A
SCHEMBL9839536 0.84 EGFR (0.43) CNR2L3MBTL1NPSR1EGFRERBB2
SCHEMBL9839519 0.82 RAB9A (0.54) L3MBTL1NPSR1ALDH1A1LMNAKDM4E
SCHEMBL9840321 0.80 CNR2 (0.43) CNR2L3MBTL1NPSR1EGFRERBB2
SCHEMBL9838463 0.76 EGFR (0.46) CNR2EGFRERBB2ESRRGALDH1A1
SCHEMBL2742810 0.76 HPGD (0.59) CNR2L3MBTL1NPSR1EGFRERBB2
SCHEMBL9838421 0.73 ESRRG (0.38) CNR2L3MBTL1NPSR1EGFRERBB2
SCHEMBL9839524 0.72 CNR2 (0.45) CNR2L3MBTL1EGFRERBB2ALDH1A1
SCHEMBL8140120 0.72 CYP2C19 (0.44) CNR2L3MBTL1NPSR1EGFRERBB2

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-5057154-A Colorfastness, stability RICOH COMPANY, LTD. (JP) 1991-10-15 US disclosed
US-4939117-A Leuco dyes and recording material employing the same RICOH COMPANY, LTD. (JP) 1990-07-03 US disclosed