SCHEMBL4070259

SCHEMBL4070259

CNCC(c1ccc(Br)cc1)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
POLB P06746 2/20 0.46
TSHR P16473 1/20 0.46
TP53 P04637 3/20 0.45
THRB P10828 2/20 0.45
P2RX7 Q99572 6/20 0.44
FPR3 P25089 1/20 0.43
FPR2 P25090 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL16373640 0.86 P2RX7 (0.47) MAPTPOLBTSHRTP53THRB
SCHEMBL4061635 0.86 MAPT (0.43) MAPTPOLBTSHRTP53
SCHEMBL14452752 0.85 P2RX7 (0.58) MAPTTP53THRBP2RX7
SCHEMBL8276876 0.84 ALDH1A1 (0.49) MAPTTP53THRBP2RX7ALDH1A1
SCHEMBL4067418 0.83 MAPT (0.42) MAPTPOLBTP53P2RX7ALDH1A1
SCHEMBL4063226 0.82 MAPT (0.56) MAPTPOLBTP53THRBP2RX7
SCHEMBL14302718 0.81 TP53 (0.49) MAPTTP53THRBP2RX7
SCHEMBL11494209 0.74 MAPT (0.45) MAPTPOLBTSHRTP53THRB
SCHEMBL11494210 0.74 MAPT (0.45) MAPTPOLBTSHRTP53THRB
SCHEMBL14302716 0.74 ALDH1A1 (0.69) MAPTPOLBTSHRTP53THRB

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-2049118-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SmithKline Beecham Corporation (US) 2009-04-22 EP disclosed
WO-2008011551-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-24 WO disclosed