SCHEMBL17149153

SCHEMBL17149153

Cc1cc(COCC(C)C)cc(C)c1SC(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 0.34
CACNA1F O60840 1/20 0.31
CACNA1D Q01668 1/20 0.31
CACNA1S Q13698 1/20 0.31
CACNA1C Q13936 1/20 0.31
PTPN1 P18031 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
SCHEMBL17149137 0.76 GABRA1 (0.33)
SCHEMBL17149195 0.75 POLB (0.35)
SCHEMBL17149155 0.74 TACR1 (0.35) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL17149192 0.73 NOS3 (0.33)
SCHEMBL17149142 0.70
SCHEMBL647273 0.68 CA1 (0.44) TACR1
SCHEMBL14707866 0.68 RAPGEF4 (0.36)
SCHEMBL2609182 0.68 CRHBP (0.43)
SCHEMBL646849 0.66 TACR1 (0.41) TACR1
SCHEMBL8263617 0.66 AGXT (0.50) TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815997-B2 Organic electroluminescence device and ink composition IDEMITSU KOSAN CO., LTD. (JP) 2017-11-14 US disclosed
US-20150284580-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND INK COMPOSITION IDEMITSU KOSAN CO., LTD. (JP) 2015-10-08 US disclosed