SCHEMBL14722704

SCHEMBL14722704

Cc1cccc(-c2nc3c(c(-c4ccccc4)n2)CCCC3)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
CCR1 P32246 1/20 0.40
CCR8 P51685 1/20 0.40
HRH2 P25021 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TGFBR1 P36897 1/20 0.38
THRB P10828 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP2A6 P11509 1/20 0.37

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
SCHEMBL14731125 0.99 LMNA (0.43) LMNAL3MBTL1CCR1CCR8HRH2
SCHEMBL14731126 0.97 LMNA (0.41) LMNAL3MBTL1CCR1CCR8HRH2
SCHEMBL14731024 0.91 THRB (0.44) CCR1CCR8HRH2HRH3HTR2A
SCHEMBL14731127 0.90 THRB (0.44) CCR1CCR8HRH2HRH3HTR2A
SCHEMBL14731023 0.88 HTR2A (0.45) CCR1CCR8HRH2HRH3HTR2A
SCHEMBL14731120 0.88 MAPT (0.44) LMNAL3MBTL1CCR1CCR8MAPT
SCHEMBL14731033 0.88 TGFBR1 (0.46) LMNACCR1CCR8HRH2HRH3
SCHEMBL14731015 0.88 THRB (0.44) CCR1CCR8HRH2HRH3HTR2A
SCHEMBL14731036 0.87 TGFBR1 (0.46) LMNACCR1CCR8HRH2HRH3
SCHEMBL14731137 0.87 HTR2A (0.44) CCR1CCR8HRH2HRH3HTR2A

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
WO-2013026900-A1 PYRIDINE DERIVATIVES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-02-28 WO disclosed
WO-2013026900-A1 PYRIDINE DERIVATIVES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-02-28 WO disclosed