SCHEMBL23472301

SCHEMBL23472301

CCCCNc1nc(CC)ncc1OCCOc1ccnc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.43
▸ S1PR2 O95136 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ACP1 P24666 1/20 0.42
▸ HTR1A P08908 2/20 0.41
▸ ADRA1D P25100 2/20 0.41
▸ ADRA1A P35348 2/20 0.41
▸ ADRA1B P35368 2/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ UTS2R Q9UKP6 3/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ CYP1A2 P05177 4/20 0.40
▸ GBA1 P04062 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38

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
SCHEMBL20219471 0.88 NPSR1 (0.44) NPSR1S1PR2LMNASMN1; SMN2ACP1
SCHEMBL15470014 0.87 TLR8 (0.48) NPSR1S1PR2LMNASMN1; SMN2ACP1
SCHEMBL23472425 0.85 CASP6 (0.41) NPSR1S1PR2LMNASMN1; SMN2ACP1
SCHEMBL23472627 0.78 TLR7 (0.42) NPSR1ACP1CYP2D6KDM4EL3MBTL1
SCHEMBL16836384 0.76 TLR8 (0.49) LMNAL3MBTL1CYP1A2TLR8
SCHEMBL7561580 0.75 TLR8 (0.50) NPSR1S1PR2LMNASMN1; SMN2CYP1A2
SCHEMBL20219347 0.74 HTR1A (0.50) HTR1AADRA1DADRA1AADRA1BTLR8
SCHEMBL15470044 0.73 HTR1A (0.49) HTR1AADRA1DADRA1AADRA1BCYP3A4
SCHEMBL7590766 0.73 TLR8 (0.51) NPSR1S1PR2LMNASMN1; SMN2HTR1A
SCHEMBL23472334 0.73 TLR8 (0.43) NPSR1LMNASMN1; SMN2CYP2D6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3590928-B1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-06-09 — — EP disclosed
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