SCHEMBL4611997

SCHEMBL4611997

OCC(c1cccnc1)N1CCN(CCc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 2/20 0.52
TP53 P04637 2/20 0.51
SLC1A2 P43004 1/20 0.49
THRB P10828 3/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL4611623 0.86 L3MBTL1 (0.56) L3MBTL1
SCHEMBL4611557 0.80 SLC1A2 (0.59) LMNASLC1A2
SCHEMBL4164304 0.80 KDM4E (0.55)
SCHEMBL4611075 0.80 SLC1A2 (0.48) TP53SLC1A2
Bromide SCHEMBL4173363 0.79 KDM4E (0.53)
SCHEMBL4168265 0.78 SLC6A3 (0.59)
SCHEMBL4172177 0.78 SLC1A2 (0.48) L3MBTL1SLC1A2
Bromide SCHEMBL4171916 0.77 SLC6A3 (0.58)
SCHEMBL17865308 0.77 SLC1A2 (0.56) LMNATP53SLC1A2MAPT
SCHEMBL4613070 0.77 MC4R (0.53) L3MBTL1

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
EP-1981849-A1 HETEROCYCLIC COMPOUNDS LEK Pharmaceuticals D.D. (SI) 2008-10-22 EP disclosed
WO-2007073935-A1 HETEROCYCLIC COMPOUNDS LEK PHARMACEUTICALS D.D. (SI) 2007-07-05 WO disclosed