SCHEMBL14182725

SCHEMBL14182725

CC1CCC(C(=O)Nc2ccc3[nH]c(-c4ccc(NC(=O)c5ccc(Cl)cc5)cc4)cc3c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.47
▸ MAOB P27338 4/20 0.47
▸ ROCK2 O75116 1/20 0.45
▸ PRKD3 O94806 1/20 0.45
▸ MAP4K4 O95819 1/20 0.45
▸ RPS6KB1 P23443 1/20 0.45
▸ CLK2 P49760 1/20 0.45
▸ ROCK1 Q13464 1/20 0.45
▸ DYRK1A Q13627 1/20 0.45
▸ PRKG1 Q13976 1/20 0.45
▸ PRKD2 Q9BZL6 1/20 0.45
▸ CLK4 Q9HAZ1 1/20 0.45
▸ SGK2 Q9HBY8 1/20 0.45
▸ STK17A Q9UEE5 1/20 0.45
▸ NHERF1 O14745 1/20 0.44
▸ NR2E3 Q9Y5X4 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ ABCB1 P08183 1/20 0.44
▸ SLC2A1 P11166 1/20 0.43
▸ KMT2A Q03164 2/20 0.42

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
SCHEMBL14182847 0.95 HDAC6 (0.47) MAOAMAOBNHERF1NR2E3ABCB1
SCHEMBL14182728 0.91 MAOB (0.57) MAOAMAOBNR2E3MAPTSLC2A1
SCHEMBL14182716 0.90 MAOA (0.54) MAOAMAOBNR2E3MAPTSLC2A1
SCHEMBL14182699 0.90 MAOA (0.56) MAOAMAOBROCK2PRKD3MAP4K4
SCHEMBL14182737 0.90 MAOA (0.54) MAOAMAOBNR2E3MAPTSLC2A1
SCHEMBL14182718 0.89 MAOA (0.57) MAOAMAOBNR2E3SLC2A1KMT2A
SCHEMBL14182729 0.89 KCNQ2 (0.55) MAOAMAOBMAPTABCB1KMT2A
SCHEMBL14182768 0.89 KCNQ2 (0.55) MAOAMAOBMAPTABCB1KMT2A
SCHEMBL14182712 0.89 ALDH1A1 (0.47) MAOAMAOBROCK2PRKD3CLK2
SCHEMBL14182846 0.87 SLC2A1 (0.48) MAOAMAOBNR2E3MAPTSLC2A1

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
US-7375118-B2 Phenyl-indole compounds for modulating IgE and Inhibiting cellular proliferation AVANIR PHARMACEUTICALS (US) 2008-05-20 — — US disclosed
US-7375118-B2 Phenyl-indole compounds for modulating IgE and Inhibiting cellular proliferation AVANIR PHARMACEUTICALS (US) 2008-05-20 — — US disclosed
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