SCHEMBL27597814

SCHEMBL27597814

Cc1cc(N2CCCC2)c2ccc(N(C)c3cccnc3)cc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 7/20 0.52
▸ ADRB2 P07550 1/20 0.42
▸ ADRB1 P08588 1/20 0.42
▸ NPY5R Q15761 1/20 0.40
▸ KDM4C Q9H3R0 1/20 0.40
▸ MAPK1 P28482 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ LATS1 O95835 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ PSMD14 O00487 1/20 0.37
▸ APAF1 O14727 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL5028584 0.87 NCF1 (0.65) NCF1ADRB2ADRB1NPY5RMAPK1
SCHEMBL27597792 0.86 NCF1 (0.53) NCF1ADRB2ADRB1NPY5RKDM4C
SCHEMBL27597796 0.86 NCF1 (0.49) NCF1ADRB2ADRB1NPY5RMAPK1
SCHEMBL5022742 0.83 NCF1 (0.48) NCF1ADRB2ADRB1NPY5RHSD17B10
SCHEMBL5025401 0.81 NCF1 (0.46) NCF1HSD17B10LMNAKDM4EMAPT
SCHEMBL5416659 0.79 NCF1 (0.56) NCF1ADRB2ADRB1NPY5RMAPK1
SCHEMBL5024416 0.79 NCF1 (0.53) NCF1ADRB2ADRB1NPY5RMAPK1
SCHEMBL5412427 0.78 NCF1 (0.59) NCF1ADRB2ADRB1NPY5RMAPK1
SCHEMBL6710308 0.78 NCF1 (0.58) NCF1ADRB2ADRB1NPY5RMAPK1
SCHEMBL5025361 0.76 NCF1 (0.53) NCF1ADRB2ADRB1NPY5RMAPK1

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
CN-1627945-A Quinoline derivatives as NPY antagonists HOFFMANN LA ROCHE (CH) 2005-06-15 — — CN disclosed
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