SCHEMBL5087985

SCHEMBL5087985

COC1CCN(c2cc(C)nc3cc(-c4ncccc4N)ccc23)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 1/20 0.40
CHRM4 P08173 1/20 0.39
SSTR2 P30874 1/20 0.37
KMT2A Q03164 2/20 0.37
NCF1 P14598 3/20 0.36
CNR2 P34972 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PSMD14 O00487 1/20 0.35
APAF1 O14727 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
IDH1 O75874 2/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
PDE10A Q9Y233 3/20 0.35
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35

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
SCHEMBL5087897 0.90 CHRM4 (0.38) PDE1BCHRM4SSTR2KMT2ANCF1
SCHEMBL6369434 0.77 KMT2A (0.43) CHRM4KMT2ANCF1KDM4EMAPT
SCHEMBL5037540 0.77 KMT2A (0.43) CHRM4KMT2ANCF1KDM4EMAPT
Hydrochloric Acid SCHEMBL5026859 0.76 CHRM4 (0.41) CHRM4KMT2ANCF1NPSR1ADRB2
Hydrochloric Acid SCHEMBL5026865 0.76 CHRM4 (0.41) CHRM4KMT2ANCF1NPSR1ADRB2
SCHEMBL5024456 0.74 PIK3CA (0.41) PDE1BCHRM4PDE10APDE3BPDE3A
SCHEMBL5024455 0.74 PIK3CA (0.41) PDE1BCHRM4PDE10APDE3BPDE3A
SCHEMBL5040526 0.74 NCF1 (0.44) CHRM4KMT2ANCF1MAPTNPSR1
SCHEMBL5040485 0.74 NCF1 (0.44) CHRM4KMT2ANCF1MAPTNPSR1
SCHEMBL5040488 0.74 NCF1 (0.44) CHRM4KMT2ANCF1MAPTNPSR1

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