SCHEMBL9622197

SCHEMBL9622197

COc1ccc(CSC2CCN(Cc3cc4ccccc4o3)CC2)c(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 16/20 0.57
DRD2 P14416 9/20 0.57
HTR1A P08908 8/20 0.57
BCHE P06276 2/20 0.48
ACHE P22303 2/20 0.48

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
SCHEMBL9622852 0.88 HTR2B (0.45) HTR2BDRD2HTR1A
SCHEMBL9622931 0.81 HCRTR1 (0.44) HTR2BDRD2
SCHEMBL9622201 0.79 MEN1 (0.42) BCHEACHE
SCHEMBL9622928 0.78 MEN1 (0.42) BCHEACHE
SCHEMBL9622848 0.74 CHRM2 (0.45) HTR2BDRD2
SCHEMBL9622857 0.72 LMNA (0.42) HTR2BDRD2
SCHEMBL9367280 0.72 SMN1; SMN2 (0.48) HTR2B
SCHEMBL9367286 0.72 SMN1; SMN2 (0.48) HTR2B
SCHEMBL9366603 0.72 CPT1B (0.55)
SCHEMBL13499610 0.71 HTR2B (0.65) HTR2BDRD2HTR1AACHE

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-5126356-A Antiischemic agents ADIR ET COMPAGNIE (FR) 1992-06-30 US disclosed