SCHEMBL5087897

SCHEMBL5087897

CCOC1CCN(c2cc(C)nc3cc(-c4ncccc4N)ccc23)C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.38
PDE1B Q01064 1/20 0.37
SSTR2 P30874 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NCF1 P14598 4/20 0.34
CNR2 P34972 1/20 0.34
PDE10A Q9Y233 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PSMD14 O00487 1/20 0.34
APAF1 O14727 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
SMO Q99835 1/20 0.33
PIK3CD O00329 1/20 0.33

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
SCHEMBL5087985 0.90 PDE1B (0.40) CHRM4PDE1BSSTR2KMT2ANCF1
SCHEMBL5092297 0.82 CHRM4 (0.41) CHRM4KMT2AMEN1ALDH1A1NCF1
SCHEMBL5024502 0.82 CHRM4 (0.41) CHRM4KMT2AMEN1ALDH1A1NCF1
SCHEMBL5042661 0.78 ALDH1A1 (0.43) CHRM4KMT2AMEN1ALDH1A1NCF1
SCHEMBL5042666 0.78 ALDH1A1 (0.43) CHRM4KMT2AMEN1ALDH1A1NCF1
Hydrochloric Acid SCHEMBL5022641 0.78 KMT2A (0.40) CHRM4KMT2AMEN1ALDH1A1NCF1
Hydrochloric Acid SCHEMBL5040355 0.78 ALDH1A1 (0.42) CHRM4KMT2AMEN1ALDH1A1NCF1
Hydrochloric Acid SCHEMBL5022640 0.78 KMT2A (0.40) CHRM4KMT2AMEN1ALDH1A1NCF1
Hydrochloric Acid SCHEMBL5025459 0.78 KMT2A (0.40) CHRM4KMT2AMEN1ALDH1A1NCF1
Hydrochloric Acid SCHEMBL5040350 0.78 ALDH1A1 (0.42) CHRM4KMT2AMEN1ALDH1A1NCF1

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
EP-1474145-B1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-04-23 EP claimed