SCHEMBL3406865

SCHEMBL3406865

O=C(NCC1CC1)Oc1cnc(N2CC3=C(C2)CN(c2ncnc4ccccc24)C3)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HRH1 P35367 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
PDGFRB P09619 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
SIRT2 Q8IXJ6 2/20 0.35
SIRT1 Q96EB6 2/20 0.35
SIRT3 Q9NTG7 2/20 0.35
ACACB O00763 6/20 0.35
ACACA Q13085 5/20 0.35
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
AKT3 Q9Y243 1/20 0.35
PTK2 Q05397 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
RXFP1 Q9HBX9 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
SCHEMBL2292781 0.85 SNCA (0.39) LMNAHTTSMN1; SMN2HRH1HRH3
SCHEMBL3406868 0.85 NAMPT (0.38) LMNAHTTSMN1; SMN2DRD2DRD3
SCHEMBL3403621 0.84 AKT1 (0.39) HTTSMN1; SMN2DRD2DRD3PDGFRB
SCHEMBL3401438 0.78 FPR3 (0.34) DRD2ACACBACACA
SCHEMBL3407347 0.76 SCD (0.47)
SCHEMBL2295200 0.72 NAMPT (0.51) LMNADRD2DRD3HRH4RXFP1
SCHEMBL3407377 0.64 FAAH (0.43) HTTSMN1; SMN2
SCHEMBL15190399 0.64 SORD (0.44) LMNAHTTSMN1; SMN2HRH1HRH3
SCHEMBL2290030 0.62 HDAC3 (0.46)
SCHEMBL13229965 0.61 AKT1 (0.58) LMNAHTTSMN1; SMN2AKT1AKT2

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-2152711-B1 2 -HETEROARYL- PYRROLO [3, 4-C]PYRROLE DERIVATIVES AND THEIR USE AS SCD INHIBITORS SANOFI AVENTIS (FR) 2010-11-24 EP disclosed