SCHEMBL21022962

SCHEMBL21022962

CC1C=CC=C([C@@H]2CCNC2)C1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.36
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
PDE4B Q07343 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
SCHEMBL18977395 0.70
SCHEMBL807629 0.68 HTR3A (0.38) HTR3AHTR2AHTR2CPDE4B
SCHEMBL13093306 0.67 HTR3A (0.37) HTR3A
SCHEMBL18408638 0.66 DRD2 (0.47)
SCHEMBL24504976 0.62 HTR2A (0.35) HTR2AHTR2C
SCHEMBL21788702 0.62 RAD52 (0.36) HTR2AHTR2C
SCHEMBL7719942 0.60
SCHEMBL13767655 0.59 SLC18A3 (0.36) HTR2C
SCHEMBL6083553 0.59 HTR3A (0.44) HTR3AHTR2AHTR2CPDE4B
SCHEMBL23182676 0.59 DRD2 (0.36) HTR2AHTR2C

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
EP-2620428-B1 ASYMMETRIC AUXILIARY GROUP WAVE LIFE SCIENCES LTD (SG) 2019-05-22 EP disclosed