SCHEMBL28809243

SCHEMBL28809243

CCCCCOc1cccc2ccccc12.N#Cc1ccccc1C#N

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 12/20 0.58
▸ HTR1D P28221 3/20 0.56
▸ KCNA3 P22001 1/20 0.55
▸ SLC6A4 P31645 2/20 0.55
▸ HRH1 P35367 1/20 0.52
▸ CNR1 P21554 2/20 0.52
▸ CNR2 P34972 2/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ NR2E1 Q9Y466 1/20 0.49

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
SCHEMBL250503 0.88 HTR1B (0.71) HTR1BHTR1DKCNA3SLC6A4HRH1
SCHEMBL7616127 0.86 HTR1B (0.69) HTR1BHTR1DKCNA3SLC6A4HRH1
SCHEMBL10589534 0.86 HTR1B (0.69) HTR1BHTR1DKCNA3SLC6A4HRH1
SCHEMBL30516171 0.86 HTR1B (0.69) HTR1BHTR1DKCNA3SLC6A4HRH1
SCHEMBL755688 0.86 HTR1B (0.69) HTR1BHTR1DKCNA3SLC6A4HRH1
SCHEMBL1681954 0.86 HTR1B (0.69) HTR1BHTR1DKCNA3SLC6A4HRH1
SCHEMBL18551586 0.86 HTR1B (0.69) HTR1BHTR1DKCNA3SLC6A4HRH1
SCHEMBL3696854 0.86 HTR1B (0.69) HTR1BHTR1DKCNA3SLC6A4HRH1
SCHEMBL20506760 0.86 HTR1B (0.69) HTR1BHTR1DKCNA3SLC6A4HRH1
SCHEMBL30516172 0.86 HTR1B (0.69) HTR1BHTR1DKCNA3SLC6A4HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103476872-A Phthalocyanine dyes, method of making them, and their use in dye sensitized solar cells SOLVAY 2013-12-25 — — CN claimed
CN-103476872-B Dyestuff, its manufacture method and their purposes in dye sensitization solar battery SOLVAY S.A. (BE) 2016-04-27 — — CN disclosed
CN-103476872-A Phthalocyanine dyes, method of making them, and their use in dye sensitized solar cells SOLVAY 2013-12-25 — — CN disclosed
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