SCHEMBL30288463

SCHEMBL30288463

C=CN(C=C)CCc1c(Cl)[nH]c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.44
HTR2A P28223 11/20 0.42
HTR2C P28335 11/20 0.42
DRD2 P14416 9/20 0.42
HTR1A P08908 2/20 0.38
HTR1D P28221 2/20 0.38
DRD3 P35462 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR1E P28566 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
ADRA1B P35368 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL25298382 0.80 HTR6 (0.69) HTR6HTR2AHTR2CDRD2HTR1A
SCHEMBL30288465 0.77 HTR2A (0.67) HTR6HTR2AHTR2CDRD2HTR1A
SCHEMBL30288455 0.76 HTR6 (0.48) HTR6HTR2AHTR2CDRD2HTR1A
SCHEMBL24243704 0.76 HTR2A (0.69) HTR6HTR2AHTR2CDRD2HTR1A
SCHEMBL27962585 0.74 HTR6 (0.49) HTR6HTR2AHTR2CDRD2HTR1D
SCHEMBL24243756 0.74 HTR2A (0.58) HTR6HTR2AHTR2CDRD2HTR1A
Hydrochloric Acid SCHEMBL31535656 0.72 HTR6 (0.48) HTR6HTR2AHTR2CDRD2HTR1D
SCHEMBL31664938 0.71 CHRNB2 (0.37) HTR6HTR2AHTR2CDRD2CHRNB2
SCHEMBL31696757 0.71 ALDH1A1 (0.46) HTR6HTR2AHTR2CDRD2CYP3A4
SCHEMBL28190374 0.67 EGFR (0.68) ADRA1ASLC6A3MAPTALDH1A1KDM4E

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
EP-4146198-A1 NOVEL COMPOSITIONS OF MATTER AND PHARMACEUTICAL COMPOSITIONS Psilera Inc. (US) 2023-03-15 EP claimed
EP-4146198-A1 NOVEL COMPOSITIONS OF MATTER AND PHARMACEUTICAL COMPOSITIONS Psilera Inc. (US) 2023-03-15 EP disclosed