SCHEMBL11033495

SCHEMBL11033495

c1ccc2c(c1)CCC2OCC1CNCCO1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.48
HTR2A P28223 5/20 0.48
SLC6A2 P23975 4/20 0.48
HTR2B P41595 3/20 0.48
SLC6A3 Q01959 3/20 0.48
ADRB2 P07550 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA2C P18825 1/20 0.48
IDO1 P14902 3/20 0.43
HRH1 P35367 2/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR3A P46098 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
HTR2C P28335 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
BRD4 O60885 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL19839314 0.81 IDO1 (0.53) HTR1AIDO1GPR84BRD4CYP3A4
SCHEMBL11554549 0.74 SLC6A2 (0.44) SLC6A4HTR2ASLC6A2HTR2BSLC6A3
SCHEMBL19839262 0.72 IDO1 (0.55) SLC6A4ADRA1AIDO1GPR84
SCHEMBL8366383 0.72 SLC6A4 (0.48) SLC6A4HTR2ASLC6A2HTR2BSLC6A3
SCHEMBL7258599 0.70 IDO1 (0.63) HTR2AADRA1AADRA2CIDO1GPR84
SCHEMBL2924439 0.69 HTR2A (0.65) SLC6A4HTR2ASLC6A2HTR2BSLC6A3
SCHEMBL2925939 0.69 HTR2A (0.65) SLC6A4HTR2ASLC6A2HTR2BSLC6A3
SCHEMBL1002267 0.69 HTR2A (0.65) SLC6A4HTR2ASLC6A2HTR2BSLC6A3
SCHEMBL11634137 0.68 HTR2A (0.59) SLC6A4HTR2ASLC6A2HTR2BSLC6A3
SCHEMBL31381398 0.68 SLC6A2 (0.56) SLC6A4HTR2ASLC6A2HTR2BSLC6A3

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
JP-59059676-A None JP disclosed
JP-S5959676-A NOVEL MORPHOLINE DERIVATIVE AND ITS PREPARATION YAMANOUCHI PHARMACEUT CO LTD 1984-04-05 JP disclosed