SCHEMBL9804013

SCHEMBL9804013

Cc1cc(OCCCCCCc2ccnn2-c2ccccc2)c2ccccc2n1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 6/20 0.40
PDE10A Q9Y233 2/20 0.39
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
CYP1A2 P05177 1/20 0.36
ACP1 P24666 1/20 0.36
GRM4 Q14833 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL9804066 0.81 KCNA3 (0.51) HTR7KDM4E
SCHEMBL9804149 0.80 NCF1 (0.38) NCF1HTR1AHTR7ACP1GRM4
SCHEMBL10515224 0.78 LMNA (0.41) CYP1A2KDM4E
SCHEMBL9804018 0.76 NCF1 (0.42) NCF1HTR1ACYP1A2
SCHEMBL9803998 0.75 MEN1 (0.46) NCF1CYP1A2KDM4E
SCHEMBL9803996 0.75 DRD3 (0.46) KDM4E
SCHEMBL9804044 0.73 NCF1 (0.41) NCF1CYP1A2
SCHEMBL16248312 0.73 NCF1 (0.51) NCF1HTR1ACYP1A2
SCHEMBL9804045 0.73 NCF1 (0.43) NCF1CYP1A2ACP1
SCHEMBL9804082 0.72 BDKRB2 (0.39) NCF1HTR1AHTR7

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
US-5026848-A Antirhinovirus agents SYNPHAR LABORATORIES INCORPORATED (CA) 1991-06-25 US claimed
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