SCHEMBL14182702

SCHEMBL14182702

CC1CCC(C(=O)Nc2ccc3[nH]c(-c4ccc(NC(=O)C5CCCCC5)cc4)cc3c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.65
▸ MAOB P27338 1/20 0.65
▸ PTPN1 P18031 3/20 0.53
▸ ITK Q08881 3/20 0.52
▸ POLB P06746 1/20 0.48
▸ SLC2A1 P11166 1/20 0.47
▸ CLK2 P49760 1/20 0.47
▸ CLK3 P49761 1/20 0.47
▸ DYRK1A Q13627 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HPGD P15428 3/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ KCNQ2 O43526 1/20 0.45
▸ PTPN2 P17706 1/20 0.45
▸ GBA1 P04062 1/20 0.44
▸ TP53 P04637 1/20 0.44

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
SCHEMBL14182690 1.00 MAOA (0.65) MAOAMAOBPTPN1ITKPOLB
SCHEMBL14182711 1.00 MAOA (0.65) MAOAMAOBPTPN1ITKPOLB
SCHEMBL14182624 1.00 MAOA (0.65) MAOAMAOBPTPN1ITKPOLB
SCHEMBL14182718 0.96 MAOA (0.57) MAOAMAOBPTPN1ITKPOLB
SCHEMBL14182692 0.93 MAOA (0.70) MAOAMAOBPTPN1ITKPOLB
SCHEMBL14182629 0.93 MAOA (0.70) MAOAMAOBPTPN1ITKPOLB
SCHEMBL14182633 0.93 MAOA (0.70) MAOAMAOBPTPN1ITKPOLB
SCHEMBL14182679 0.93 MAOA (0.70) MAOAMAOBPTPN1ITKPOLB
SCHEMBL14182717 0.91 MAOA (0.53) MAOAMAOBPTPN1ITKPOLB
SCHEMBL14182723 0.91 MAOA (0.53) MAOAMAOBPTPN1ITKPOLB

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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