SCHEMBL14183000

SCHEMBL14183000

O=C(Nc1ccc(-c2cc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3[nH]2)cc1)c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ AGTR1 P30556 1/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPC1 O15118 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ GRM2 Q14416 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ KDR P35968 3/20 0.41

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
SCHEMBL14182645 0.93 RAB9A (0.52) RAB9AKDM4EMAPTAGTR1OPRK1
SCHEMBL14182635 0.93 RAB9A (0.52) RAB9AKDM4EMAPTAGTR1OPRK1
SCHEMBL14182802 0.89 ALDH1A1 (0.46) RAB9AKDM4EMAPTAGTR1OPRK1
SCHEMBL14182796 0.88 RAB9A (0.44) RAB9AKDM4EMAPTAGTR1OPRK1
SCHEMBL14183003 0.87 ALDH1A1 (0.53) RAB9AKDM4EALDH1A1TP53HPGD
SCHEMBL14183004 0.86 GRM4 (0.53) RAB9AKDM4EMAPTALDH1A1NPC1
SCHEMBL14182993 0.86 RAB9A (0.45) RAB9AKDM4EMAPTAGTR1OPRK1
SCHEMBL14182778 0.86 RAB9A (0.45) RAB9AKDM4EMAPTAGTR1OPRK1
SCHEMBL14182921 0.84 CNR2 (0.45) RAB9AKDM4EMAPTAGTR1OPRK1
SCHEMBL14182800 0.82 RAB9A (0.38) RAB9AKDM4EMAPTAGTR1OPRK1

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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