SCHEMBL4610367

SCHEMBL4610367

NC(c1ccccc1)C(N)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.55
DPP4 P27487 2/20 0.50
METAP2 P50579 3/20 0.46
METAP1 P53582 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PKM P14618 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTR1E P28566 1/20 0.40
S1PR3 Q99500 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
CHRM3 P20309 1/20 0.40

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
SCHEMBL12927232 0.82 IDO1 (0.53) IDO1DPP4METAP2METAP1MEN1
SCHEMBL2769103 0.81 ADRB2 (0.45) METAP2METAP1
SCHEMBL8249190 0.81 ADRB2 (0.45) METAP2METAP1
SCHEMBL182619 0.79 IDO1 (0.58) IDO1DPP4METAP2METAP1MEN1
SCHEMBL20721161 0.79 IDO1 (0.58) IDO1DPP4METAP2METAP1MEN1
SCHEMBL24741625 0.79 IDO1 (0.58) IDO1DPP4METAP2METAP1MEN1
SCHEMBL2677265 0.79 IDO1 (0.58) IDO1DPP4METAP2METAP1MEN1
SCHEMBL24742273 0.79 IDO1 (0.58) IDO1DPP4METAP2METAP1MEN1
SCHEMBL30566992 0.78 IDO1 (0.49) IDO1DPP4METAP2METAP1MEN1
SCHEMBL8241987 0.78 SLC6A3 (0.46) METAP2OPRM1OPRD1OPRK1OPRL1

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-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed