SCHEMBL19320303

SCHEMBL19320303

CCCCCCc1ccc(N2c3ccc(C)cc3Oc3cc(C)ccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.50
MGLL Q99685 1/20 0.50
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A3 Q01959 2/20 0.41
HTR2A P28223 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
SHBG P04278 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
HSPD1 P10809 1/20 0.41
ADRB3 P13945 1/20 0.41
HTR2C P28335 1/20 0.41
HSPE1 P61604 1/20 0.41

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
SCHEMBL2607155 0.94 MGLL (0.42) FAAHMGLLSLC6A2SLC6A4HTR2A
SCHEMBL13429571 0.92 FAAH (0.43) FAAHMGLLSLC6A2SLC6A4ESR1
SCHEMBL11916914 0.90 MGLL (0.39) FAAHMGLLSLC6A2SLC6A4HTR2A
SCHEMBL18083584 0.89 NPC1 (0.40) FAAHMGLLSLC6A2SLC6A4ESR1
SCHEMBL12108002 0.88 P2RX4 (0.38) FAAHMGLLSLC6A2TP53NPC1
SCHEMBL13429568 0.87 NPC1 (0.38) FAAHMGLLSLC6A2SLC6A4HTR2A
SCHEMBL18083586 0.87 NPC1 (0.41) FAAHMGLLSLC6A2SLC6A4ESR1
SCHEMBL11976635 0.86 RAB9A (0.40) FAAHMGLLKDM4EALDH1A1HSD17B10
SCHEMBL13868942 0.86 MGLL (0.55) FAAHMGLLSLC6A2SLC6A4ESR1
SCHEMBL13868941 0.86 MGLL (0.55) FAAHMGLLSLC6A2SLC6A4ESR1

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
US-20170253795-A1 POLYMER COMPOUND AND LIGHT-EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-09-07 US disclosed