SCHEMBL9622852

SCHEMBL9622852

COc1ccc(CSC2CCN(Cc3cc4cc(F)ccc4o3)CC2)c(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 9/20 0.45
DRD2 P14416 7/20 0.45
HTR1A P08908 5/20 0.45
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
SLC6A3 Q01959 2/20 0.41
CHRM2 P08172 2/20 0.41
OPRK1 P41145 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CNR1 P21554 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL9622197 0.88 HTR2B (0.57) HTR2BDRD2HTR1A
SCHEMBL9622857 0.81 LMNA (0.42) HTR2BDRD2LMNASMN1; SMN2SLC6A3
SCHEMBL9622931 0.73 HCRTR1 (0.44) HTR2BDRD2LMNASLC6A3CHRM2
SCHEMBL9622599 0.72 LMNA (0.44) HTR2BDRD2LMNASMN1; SMN2SLC6A3
SCHEMBL9622597 0.72 LMNA (0.44) HTR2BDRD2LMNASMN1; SMN2SLC6A3
SCHEMBL9622848 0.72 CHRM2 (0.45) HTR2BDRD2LMNASMN1; SMN2SLC6A3
SCHEMBL9622201 0.71 MEN1 (0.42) LMNASMN1; SMN2CHRM2OPRK1HTT
SCHEMBL9622928 0.70 MEN1 (0.42) LMNASMN1; SMN2CHRM2OPRK1HTT
SCHEMBL9366603 0.70 CPT1B (0.55) LMNACHRM2OPRK1HTTMEN1
SCHEMBL9367286 0.66 SMN1; SMN2 (0.48) HTR2BLMNASMN1; SMN2HTR2AHTR2C

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