SCHEMBL15501013

SCHEMBL15501013

COc1ccc(N(c2ccccc2)C2CCC(c3ccc(C)cc3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
ACHE P22303 1/20 0.41
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DRD2 P14416 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD11B1 P28845 1/20 0.38
CYP3A4 P08684 1/20 0.38
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ORAI1 Q96D31 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 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
SCHEMBL8377504 0.85 KDM4E (0.45) LMNAMAPTALDH1A1DRD2MEN1
SCHEMBL10109405 0.85 ESR2 (0.44) LMNAMAPTALDH1A1NPSR1TSHR
SCHEMBL9205951 0.78 TRPM8 (0.53) MEN1KMT2ACYP3A4TSHRMAPK1
SCHEMBL19125264 0.75 HSD11B1 (0.52) OPRM1LMNAMAPTACHEALDH1A1
SCHEMBL1515026 0.73 DRD2 (0.59) MAPTALDH1A1DRD2MEN1KMT2A
SCHEMBL10109582 0.73 SIGMAR1 (0.38) LMNAMAPTDRD2HSD17B1HSD17B2
SCHEMBL11636825 0.73 KCNA3 (0.46) ALDH1A1MEN1KMT2ACYP3A4KDM4E
SCHEMBL21541747 0.73 CYP3A4 (0.52) MAPTALDH1A1DRD2MEN1KMT2A
SCHEMBL4376380 0.73 KDM4E (0.44) LMNADRD2TSHRKDM4ESLC6A2
SCHEMBL8944157 0.72 ACHE (0.60) LMNAMAPTACHEALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1308494-B1 Organic electroluminescence element PIONEER CORP (JP) 2014-03-12 EP disclosed