SCHEMBL14183012

SCHEMBL14183012

CC1CCCCC1C(=O)Nc1ccc2cc(-c3ccc(NC(=O)c4ccccn4)cc3)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 5/20 0.44
▸ NR2E3 Q9Y5X4 4/20 0.43
▸ NPC1 O15118 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ KDR P35968 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ EGFR P00533 1/20 0.42
▸ ERBB2 P04626 1/20 0.42
▸ MET P08581 1/20 0.42
▸ MERTK Q12866 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ITK Q08881 3/20 0.41
▸ JAK1 P23458 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ PKM P14618 1/20 0.40

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
SCHEMBL14183005 1.00 GRM4 (0.44) GRM4NR2E3NPC1ALDH1A1RAB9A
SCHEMBL14182698 0.93 GRM4 (0.44) GRM4NR2E3NPC1ALDH1A1RAB9A
SCHEMBL14182638 0.93 GRM4 (0.44) GRM4NR2E3NPC1ALDH1A1RAB9A
SCHEMBL14182810 0.90 RAB9A (0.40) GRM4NR2E3NPC1ALDH1A1RAB9A
SCHEMBL14182799 0.88 GRM4 (0.40) GRM4NPC1ALDH1A1RAB9AKDR
SCHEMBL14183010 0.88 ITK (0.45) NPC1ALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL14183006 0.87 GRM4 (0.59) GRM4NR2E3NPC1ALDH1A1RAB9A
SCHEMBL14183007 0.87 GRM4 (0.59) GRM4NR2E3NPC1ALDH1A1RAB9A
SCHEMBL14182998 0.87 GRM4 (0.59) GRM4NR2E3NPC1ALDH1A1RAB9A
SCHEMBL14183004 0.85 GRM4 (0.53) GRM4NPC1ALDH1A1RAB9AKDR

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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