SCHEMBL4063226

SCHEMBL4063226

CNCC(c1ccc(-c2ccccc2)cc1)N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPK1 P28482 1/20 0.56
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
P2RX7 Q99572 5/20 0.47
SLC6A3 Q01959 3/20 0.47
THRB P10828 2/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL8276876 0.91 ALDH1A1 (0.49) MAPTALDH1A1MAPK1LMNAP2RX7
SCHEMBL4070780 0.87 HRH3 (0.50) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL16373640 0.84 P2RX7 (0.47) MAPTALDH1A1MAPK1LMNAMEN1
SCHEMBL4070259 0.82 MAPT (0.57) MAPTALDH1A1POLBP2RX7THRB
SCHEMBL14452752 0.82 P2RX7 (0.58) MAPTLMNAP2RX7THRBTP53
SCHEMBL14302718 0.79 TP53 (0.49) MAPTP2RX7THRBTP53
SCHEMBL7727307 0.77 CYP1A2 (0.57) ALDH1A1MAPK1MEN1KMT2ASLC6A3
SCHEMBL6478479 0.77 CYP1A2 (0.57) ALDH1A1MAPK1MEN1KMT2ASLC6A3
SCHEMBL16333179 0.77 CYP1A2 (0.57) ALDH1A1MAPK1MEN1KMT2ASLC6A3
SCHEMBL14438348 0.77 ALDH1A1 (0.47) MAPTALDH1A1MAPK1LMNAP2RX7

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