SCHEMBL31228811

SCHEMBL31228811

CCCCCc1ccc2c(c1)Cc1cc(CCCCC)ccc1-2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.52
SLC6A2 P23975 3/20 0.52
SLC6A4 P31645 3/20 0.52
HTR2C P28335 2/20 0.52
DRD2 P14416 1/20 0.52
GPR3 P46089 1/20 0.49
S1PR1 P21453 1/20 0.47
ESR1 P03372 2/20 0.46
ADRA2A P08913 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
TACR2 P21452 2/20 0.46
SLC6A3 Q01959 2/20 0.46
CYP3A4 P08684 2/20 0.46
PTGS2 P35354 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
SHBG P04278 1/20 0.46
TP53 P04637 1/20 0.46
HSPD1 P10809 1/20 0.46

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
SCHEMBL2930325 1.00 HTR2A (0.52) HTR2ASLC6A2SLC6A4HTR2CDRD2
SCHEMBL30369240 0.98 HTR2A (0.55) HTR2ASLC6A2SLC6A4HTR2CDRD2
SCHEMBL4895814 0.98 HTR2A (0.55) HTR2ASLC6A2SLC6A4HTR2CDRD2
SCHEMBL4887234 0.98 HTR2A (0.55) HTR2ASLC6A2SLC6A4HTR2CDRD2
SCHEMBL4900272 0.98 HTR2A (0.55) HTR2ASLC6A2SLC6A4HTR2CDRD2
SCHEMBL4898274 0.98 HTR2A (0.55) HTR2ASLC6A2SLC6A4HTR2CDRD2
SCHEMBL4889569 0.94 SKP2 (0.47) HTR2ASLC6A2SLC6A4HTR2CDRD2
SCHEMBL11765193 0.92 HTR2A (0.57) HTR2ASLC6A2SLC6A4HTR2CDRD2
SCHEMBL4946924 0.90 HTR2A (0.46) HTR2ASLC6A2SLC6A4HTR2CDRD2
SCHEMBL17697931 0.90 HTR2A (0.59) HTR2ASLC6A2SLC6A4HTR2CDRD2

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-118725263-A Chiral luminescent polymer and preparation method and application thereof 中国科学院化学研究所 2024-10-01 CN disclosed