SCHEMBL5686753

SCHEMBL5686753

CCCCCCc1ccc2c(c1)Cc1cc(-c3ccc(C#N)cc3)ccc1-2

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.66
HSD17B10 Q99714 1/20 0.66
HRH3 Q9Y5N1 7/20 0.47
HTR2A P28223 2/20 0.42
DRD2 P14416 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42
CYP19A1 P11511 3/20 0.41
RARB P10826 3/20 0.39
RARA P10276 1/20 0.39
RARG P13631 1/20 0.39
GPR3 P46089 1/20 0.39

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
SCHEMBL5683706 1.00 TSHR (0.66) TSHRHSD17B10HRH3HTR2ADRD2
SCHEMBL5684587 0.99 TSHR (0.63) TSHRHSD17B10HRH3HTR2ADRD2
SCHEMBL5884950 0.95 TSHR (0.57) TSHRHSD17B10HRH3
SCHEMBL5683341 0.93 TSHR (0.66) TSHRHSD17B10HRH3CYP19A1RARB
SCHEMBL5683932 0.93 TSHR (0.66) TSHRHSD17B10HRH3CYP19A1RARB
SCHEMBL5686555 0.91 TSHR (0.63) TSHRHSD17B10HRH3CYP19A1
SCHEMBL5683748 0.90 HRH3 (0.51) TSHRHSD17B10HRH3
SCHEMBL8147208 0.88 HSD17B10 (0.49) TSHRHSD17B10HRH3HTR2ADRD2
SCHEMBL5684178 0.87 TSHR (0.57) TSHRHSD17B10HRH3
SCHEMBL5684203 0.86 TSHR (0.54) TSHRHSD17B10HRH3HTR2ADRD2

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
CN-100422124-C Fused ring compound DAINIPPON INK & CHEMICALS (JP) 2008-10-01 CN disclosed
US-7067179-B1 Fused ring compound DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-06-27 US disclosed
EP-1201632-B1 FUSED RING COMPOUND DAINIPPON INK & CHEMICALS (JP) 2006-03-29 EP disclosed
EP-1201632-A1 FUSED RING COMPOUND DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-05-02 EP disclosed