SCHEMBL15919632

SCHEMBL15919632

S=C(Nc1ccccc1)N1CCC(Nc2ccccc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.64
MAPT P10636 2/20 0.64
GAA P10253 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
KMT2A Q03164 5/20 0.64
ALDH1A1 P00352 2/20 0.64
PKM P14618 1/20 0.64
MEN1 O00255 3/20 0.63
CYP1A2 P05177 3/20 0.63
CYP2C19 P33261 2/20 0.63
GLA P06280 1/20 0.63
MAPK1 P28482 1/20 0.61
NPSR1 Q6W5P4 1/20 0.58
POLB P06746 2/20 0.55
KDM4E B2RXH2 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54

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
SCHEMBL14119792 0.86 ALDH1A1 (0.82) LMNAMAPTGAAL3MBTL1KMT2A
SCHEMBL15919628 0.85 NPY2R (0.68) LMNAMAPTL3MBTL1KMT2AALDH1A1
SCHEMBL7457778 0.82 LMNA (0.66) LMNAMAPTGAAL3MBTL1KMT2A
SCHEMBL15919634 0.81 KDM4E (0.66) MAPTGAAALDH1A1CYP2C19NPSR1
SCHEMBL7312797 0.79 CYP1A2 (0.67) LMNAMAPTGAAL3MBTL1KMT2A
SCHEMBL11179944 0.79 ALDH1A1 (0.96) LMNAMAPTKMT2AALDH1A1PKM
SCHEMBL3801054 0.78 SPR (0.50) MAPTALDH1A1KDM4E
SCHEMBL13902470 0.78 ALDH1A1 (0.70) LMNAMAPTGAAL3MBTL1KMT2A
SCHEMBL1651693 0.78 ALDH1A1 (1.00) LMNAMAPTKMT2AALDH1A1PKM
SCHEMBL14066248 0.77 LMNA (0.73) LMNAMAPTGAAL3MBTL1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014116684-A1 NON-PEPTIDIC NEUROPEPTIDE Y RECEPTOR MODULATORS ROBERTS EDWARD (US) 2014-07-31 WO disclosed