SCHEMBL9774571

SCHEMBL9774571

Cc1cc2oc(CCN)c3c2c(c1Cl)CCN(C)C3

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.41
ADRA1A P35348 3/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
ADRA1D P25100 2/20 0.41
ADRA1B P35368 2/20 0.41
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR7 P34969 1/20 0.30
HRH1 P35367 1/20 0.30
HTR6 P50406 1/20 0.30

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
SCHEMBL9534435 0.81 ADRA2A (0.62) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL9536306 0.72 ADRA2A (0.46) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL9533856 0.71 ADRA2A (0.65) ADRA2AADRA1AADRA2BADRA2CADRA1D
Hydrochloric Acid SCHEMBL9536145 0.70 ADRA2A (0.64) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL9774568 0.69 ADRA2A (0.38) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL8927564 0.68 ADRA2A (0.61) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL9378456 0.68 ADRA2A (0.60) ADRA2AADRA1AADRA2BADRA2CADRA1D
Hydrochloric Acid SCHEMBL9380494 0.68 ADRA2A (0.60) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL9378713 0.67 ADRA2A (0.67) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL9378965 0.67 ADRA2A (0.67) ADRA2AADRA1AADRA2BADRA2CADRA1D

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-4981849-A OBESITY, DIABETES, CARDIOVASCULAR DISORDERS, DEPRESSION SMITHKLINE BEECHAM CORPORATION (US) 1991-01-01 US disclosed