SCHEMBL29290702

SCHEMBL29290702

Brc1ccc(CCOC2CCCNC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.46
CHRNA4 P43681 3/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
SLC6A4 P31645 6/20 0.40
HTR2C P28335 3/20 0.40
HTR2B P41595 3/20 0.40
HTR6 P50406 1/20 0.40
SLC6A2 P23975 5/20 0.39
SLC6A3 Q01959 4/20 0.39
KCNH2 Q12809 4/20 0.39
REN P00797 1/20 0.37
ROCK1 Q13464 1/20 0.34
HTR1A P08908 1/20 0.33

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
SCHEMBL14256237 0.85 CHRM2 (0.58) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL1422301 0.82 TAAR1 (0.41)
SCHEMBL27989272 0.81 TAAR1 (0.39)
SCHEMBL8510312 0.73 KCNA5 (0.34)
SCHEMBL27398929 0.72 SLC6A4 (0.45) SLC6A4HTR2CSLC6A2SLC6A3KCNH2
SCHEMBL14967219 0.72 TAAR1 (0.37) SLC6A4HTR2CHTR2BHTR6
SCHEMBL12124793 0.70 CHRM1 (0.48) CHRM1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL14966407 0.70 TAAR1 (0.35)
SCHEMBL20326088 0.70 CYP19A1 (0.37) SLC6A4HTR2CHTR2BHTR6
SCHEMBL13886623 0.70 CHRNB2 (0.58) CHRNB2CHRNA4CHRM2CHRM1CHRM3

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
CN-109641874-A C for target protein degradation3The glutarimide degron body of carbon connection C4医药公司 2019-04-16 CN disclosed