SCHEMBL14182677

SCHEMBL14182677

O=C(Nc1ccc(-c2cc3cc(NC(=O)C4CCCCCC4)ccc3[nH]2)cc1)c1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 2/20 0.59
▸ NPC1 O15118 3/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ RAB9A P51151 3/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ ITK Q08881 2/20 0.56
▸ MAOA P21397 1/20 0.54
▸ MAOB P27338 1/20 0.54
▸ KDM4E B2RXH2 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ NR2E3 Q9Y5X4 3/20 0.51
▸ PKM P14618 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ JAK1 P23458 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ EGFR P00533 1/20 0.47
▸ ERBB2 P04626 1/20 0.47
▸ MET P08581 1/20 0.47

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
SCHEMBL14182639 1.00 GRM4 (0.59) GRM4NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL14182630 1.00 GRM4 (0.59) GRM4NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL14182636 1.00 GRM4 (0.59) GRM4NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL14182998 0.93 GRM4 (0.59) GRM4NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL14183006 0.93 GRM4 (0.59) GRM4NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL14183007 0.93 GRM4 (0.59) GRM4NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL14182641 0.91 NPC1 (0.50) GRM4NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL14182706 0.91 NPC1 (0.50) GRM4NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL14182634 0.88 GRM4 (0.53) GRM4NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL14182698 0.87 GRM4 (0.44) GRM4NPC1ALDH1A1RAB9ASMN1; SMN2

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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