SCHEMBL14182641

SCHEMBL14182641

CC1CCC(C(=O)Nc2ccc(-c3cc4cc(NC(=O)c5ccccn5)ccc4[nH]3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ TP53 P04637 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ JAK1 P23458 1/20 0.49
▸ GRM4 Q14833 3/20 0.48
▸ NR2E3 Q9Y5X4 3/20 0.47
▸ ITK Q08881 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ SLC2A1 P11166 1/20 0.46
▸ MAOA P21397 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ VCP P55072 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NAMPT P43490 1/20 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
SCHEMBL14182706 1.00 NPC1 (0.50) NPC1RAB9AALDH1A1TP53PKM
SCHEMBL14182636 0.91 GRM4 (0.59) NPC1RAB9AALDH1A1TP53PKM
SCHEMBL14182630 0.91 GRM4 (0.59) NPC1RAB9AALDH1A1TP53PKM
SCHEMBL14182639 0.91 GRM4 (0.59) NPC1RAB9AALDH1A1TP53PKM
SCHEMBL14182677 0.91 GRM4 (0.59) NPC1RAB9AALDH1A1TP53PKM
SCHEMBL14182718 0.87 MAOA (0.57) NPC1RAB9ANR2E3ITKSLC2A1
SCHEMBL14182737 0.87 MAOA (0.54) NPC1RAB9ANR2E3ITKSLC2A1
SCHEMBL14182716 0.87 MAOA (0.54) NPC1RAB9ANR2E3ITKSLC2A1
SCHEMBL14182634 0.86 GRM4 (0.53) NPC1RAB9AALDH1A1PKMGRM4
SCHEMBL14182698 0.86 GRM4 (0.44) NPC1RAB9AALDH1A1JAK1GRM4

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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