SCHEMBL14614701

SCHEMBL14614701

CNC1CCCc2ccc(O)cc21

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
PDPK1 O15530 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
ACHE P22303 1/20 0.44
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
NQO2 P16083 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 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
SCHEMBL5477725 0.90 MAOA (0.63) MAOAMAOBPDPK1SLC6A2SLC6A4
SCHEMBL13853630 0.90 MAOA (0.63) MAOAMAOBPDPK1SLC6A2SLC6A4
SCHEMBL11600879 0.81 TAS1R3 (0.54) MAOAMAOBTAS1R3TAS1R1TAS1R2
SCHEMBL3985112 0.80 PDPK1 (0.46) MAOAMAOBPDPK1ACHE
SCHEMBL19521127 0.80 PDPK1 (0.46) MAOAMAOBPDPK1TAS1R3TAS1R1
SCHEMBL2804566 0.80 TAS1R3 (0.55) MAOAMAOBTAS1R3TAS1R1TAS1R2
SCHEMBL8312130 0.78 CTSD (0.47) PDPK1ACHE
SCHEMBL4981817 0.77 ESR1 (0.46) MAOAMAOBSLC6A2SLC6A4SLC6A3
SCHEMBL6409578 0.75 ESR1 (0.47) MAOAMAOBESR1ESR2
SCHEMBL61095 0.75 PDPK1 (0.79) PDPK1TAS1R3TAS1R1TAS1R2

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-1757591-A1 CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed