SCHEMBL21157766

SCHEMBL21157766

CCc1nc(Cl)cc(N2CCCCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 3/20 0.42
KMT2A Q03164 2/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CHRM3 P20309 2/20 0.40
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
NUDT1 P36639 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
HRH4 Q9H3N8 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
ACHE P22303 1/20 0.39
NPY5R Q15761 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL2021947 0.84 CYP1A2 (0.44) CRHBPCRHR2SMN1; SMN2CYP1A2KMT2A
SCHEMBL18398994 0.84 CYP1A2 (0.60) CRHBPCRHR2SMN1; SMN2CYP1A2KMT2A
SCHEMBL10895337 0.81 KMT2A (0.38) CYP1A2KMT2ACYP2D6MAPTHRH4
SCHEMBL10896458 0.81 KMT2A (0.38) CYP1A2KMT2ACYP2D6MAPTHRH4
SCHEMBL2027503 0.81 SORD (0.45) SMN1; SMN2CYP1A2KMT2ACYP2D6MAPT
SCHEMBL3413188 0.77 KMT2A (0.53) CRHBPCRHR2SMN1; SMN2CYP1A2KMT2A
SCHEMBL27758019 0.77 CASP1 (0.56) KMT2AMAPTKDM4EGAAALDH1A1
SCHEMBL4116293 0.77 CYP1A2 (0.48) CRHBPCRHR2SMN1; SMN2CYP1A2KMT2A
SCHEMBL3236763 0.77 CYP1A2 (0.48) CRHBPCRHR2SMN1; SMN2CYP1A2KMT2A
SCHEMBL2020520 0.76 KMT2A (0.38) CRHBPCRHR2SMN1; SMN2CYP1A2KMT2A

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-3172211-B1 TRICYCLIC IMIDAZO-PYRIMIDINONE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY LP-PLA2 GLAXOSMITHKLINE IP DEV LTD (GB) 2019-07-03 EP disclosed