SCHEMBL10367377

SCHEMBL10367377

Brc1ccc2c(c1)CCC(Cc1ccccc1)O2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
DRD2 P14416 9/20 0.43
DRD4 P21917 9/20 0.43
DRD3 P35462 9/20 0.43
DRD1 P21728 2/20 0.42
DRD5 P21918 2/20 0.42
BACE1 P56817 1/20 0.38
KCNH2 Q12809 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
SCHEMBL10368729 0.87 HRH3 (0.41) HTR1ASIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL14220549 0.84 HTR1A (0.48) HTR1ASIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL9739692 0.83 CYP4F2 (0.49) HTR1ASIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL27280905 0.83 CYP4F2 (0.49) HTR1ASIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL9151737 0.83 CYP4F2 (0.49) HTR1ASIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL9153673 0.83 HTR1A (0.66) HTR1ASIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL9153669 0.83 HTR1A (0.66) HTR1ASIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL6282395 0.82 DRD2 (0.65) DRD2DRD4DRD3DRD1DRD5
SCHEMBL10366696 0.81 TDP1 (0.48) HTR1ASIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL9151283 0.81 HTR1A (0.45) HTR1ASIGMAR1ADRA2AADRA2BADRA2C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0207605-B1 HYPOGLYCEMIC THIAZOLIDINEDIONES PFIZER INC. (US) 1990-02-07 EP disclosed
US-4703052-A Hypoglycemic thiazolidinediones PFIZER INC. (US) 1987-10-27 US disclosed
EP-0207605-A1 Hypoglycemic thiazolidinediones PFIZER INC. (US) 1987-01-07 EP disclosed
WO-1986007056-A1 HYPOGLYCEMIC THIAZOLIDINEDIONES PFIZER INC. (US) 1986-12-04 WO disclosed