SCHEMBL14182704

SCHEMBL14182704

CC1CCCCC1C(=O)Nc1ccc2[nH]c(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ GRM2 Q14416 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CNR2 P34972 3/20 0.39
▸ KCNQ2 O43526 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ EPHX2 P34913 2/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ CNR1 P21554 2/20 0.37
▸ STS P08842 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 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
SCHEMBL14182668 1.00 MAOA (0.42) MAOAMAOBGRM2ALDH1A1HPGD
SCHEMBL14183011 0.93 ALDH1A1 (0.43) GRM2ALDH1A1HPGDKDM4ETP53
SCHEMBL14182719 0.89 MAOA (0.52) MAOAMAOBALDH1A1HPGDKDM4E
SCHEMBL14182657 0.87 MAOA (0.55) MAOAMAOBGRM2ALDH1A1HPGD
SCHEMBL14182632 0.87 MAOA (0.55) MAOAMAOBGRM2ALDH1A1HPGD
SCHEMBL14182651 0.87 MAOA (0.55) MAOAMAOBGRM2ALDH1A1HPGD
SCHEMBL14182669 0.87 MAOA (0.55) MAOAMAOBGRM2ALDH1A1HPGD
SCHEMBL14182642 0.87 GRM2 (0.52) GRM2ALDH1A1HPGDKDM4ETP53
SCHEMBL14182708 0.85 MAOA (0.46) MAOAMAOBGRM2ALDH1A1HPGD
SCHEMBL14182697 0.84 MAOA (0.61) MAOAMAOBALDH1A1HPGDKDM4E

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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