SCHEMBL9804084

SCHEMBL9804084

Cc1cc(OCCCCCCCC2=CN(C)CS2)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
HTR3E A5X5Y0 4/20 0.40
HTR3B O95264 4/20 0.40
HTR3A P46098 4/20 0.40
HTR3D Q70Z44 4/20 0.40
HTR3C Q8WXA8 4/20 0.40
LTB4R Q15722 8/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 1/20 0.36
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
CYP1A2 P05177 1/20 0.35

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
SCHEMBL9804060 0.83 ACP1 (0.40) LMNAL3MBTL1KMT2AHTR1AHTR7
SCHEMBL10514834 0.78 ALDH1A1 (0.43) HTTLMNAL3MBTL1KMT2A
SCHEMBL9803999 0.74 HRH3 (0.51) LMNA
SCHEMBL9804115 0.73 HTT (0.50) HTTCTDSP1LTB4RLMNAL3MBTL1
SCHEMBL9804051 0.73 HTT (0.47) HTTCTDSP1LTB4RLMNAL3MBTL1
SCHEMBL8273082 0.68 L3MBTL1 (0.56) HTTCTDSP1HTR3EHTR3BHTR3A
SCHEMBL18949729 0.68 HTT (0.56) HTTCTDSP1LMNAL3MBTL1HTR7
SCHEMBL29935491 0.65 L3MBTL1 (0.54) HTTCTDSP1LMNAL3MBTL1KMT2A
SCHEMBL9566148 0.65 LTB4R (0.47) HTTCTDSP1HTR3EHTR3BHTR3A
SCHEMBL9566153 0.65 LTB4R (0.47) HTTCTDSP1HTR3EHTR3BHTR3A

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-5026848-A Antirhinovirus agents SYNPHAR LABORATORIES INCORPORATED (CA) 1991-06-25 US disclosed
EP-0335636-A1 Antiviral compounds SYNPHAR LABORATORIES INC. (CA) 1989-10-04 EP disclosed