SCHEMBL3785116

SCHEMBL3785116

CNCCN(C)c1c[c]ccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.38
NOS2 P35228 5/20 0.38
PRMT1 Q99873 2/20 0.34
PRMT3 O60678 1/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
PRMT8 Q9NR22 1/20 0.34
MTNR1A P48039 7/20 0.33
MTNR1B P49286 7/20 0.33
SIGMAR1 Q99720 2/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
NOS3 P29474 1/20 0.30

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
SCHEMBL8667138 0.80 MAPT (0.31)
SCHEMBL3707752 0.80 NOS1 (0.34) NOS1
SCHEMBL28320582 0.78 PRMT1 (0.39) NOS1NOS2PRMT1PRMT3CARM1
SCHEMBL1268616 0.77 TAAR1 (0.45) NOS1NOS2PRMT1PRMT3CARM1
SCHEMBL8666684 0.77 MAPT (0.42) SLC6A2
SCHEMBL1419103 0.76 KCNA5 (0.32) MTNR1AMTNR1B
SCHEMBL4467275 0.76 ADRA2A (0.35)
SCHEMBL6365451 0.72 LTA4H (0.34)
SCHEMBL8655739 0.71 HTR2A (0.31)
SCHEMBL60023 0.71

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-2215066-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2010-08-11 EP disclosed
WO-2009058348-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-05-07 WO disclosed