SCHEMBL4067418

SCHEMBL4067418

CNCC(c1cccc(Br)c1)N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC6A2 P23975 5/20 0.41
SLC6A4 P31645 4/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
SLC6A3 Q01959 3/20 0.41
KCNH2 Q12809 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 2/20 0.40
POLB P06746 1/20 0.40
P2RX7 Q99572 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
SCHEMBL4063476 0.87 MBTD1 (0.46) SLC6A2SLC6A4CYP3A4CYP2D6SLC6A3
SCHEMBL14452054 0.84 POLB (0.52) MAPTALDH1A1KDM4ESLC6A2SLC6A4
SCHEMBL4070259 0.83 MAPT (0.57) MAPTALDH1A1TP53POLBP2RX7
SCHEMBL8276876 0.83 ALDH1A1 (0.49) MAPTALDH1A1KDM4EHSD17B10CYP3A4
SCHEMBL8251020 0.77 MBTD1 (0.59) ALDH1A1CYP3A4CYP2D6
SCHEMBL14302716 0.76 ALDH1A1 (0.69) MAPTALDH1A1KDM4EHSD17B10CYP3A4
SCHEMBL16373640 0.76 P2RX7 (0.47) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL4063226 0.75 MAPT (0.56) MAPTALDH1A1SLC6A2SLC6A4CYP3A4
SCHEMBL14452752 0.74 P2RX7 (0.58) MAPTLMNATP53P2RX7
SCHEMBL2956428 0.73 ALDH1A1 (0.45) ALDH1A1MEN1KMT2APOLB

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