SCHEMBL14213363

SCHEMBL14213363

CC1CC2CCCC(C(=O)CNc3ccc(-c4cc5ccc(NC(=O)c6ccccn6)cc5[nH]4)cc3)(C1)C2

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 13/20 0.37
▸ BACE1 P56817 1/20 0.35
▸ RAB9A P51151 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ AGTR1 P30556 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MLLT1 Q03111 1/20 0.34
▸ KDR P35968 2/20 0.34
▸ EGFR P00533 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ MET P08581 1/20 0.34
▸ MERTK Q12866 1/20 0.34

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
SCHEMBL14182796 0.87 RAB9A (0.44) GRM4RAB9AKDM4EMAPTAGTR1
SCHEMBL14213699 0.86 ALDH1A1 (0.39) RAB9AKDM4EMEN1KMT2A
SCHEMBL14213890 0.83 CNR1 (0.34) —
SCHEMBL14182800 0.83 RAB9A (0.38) GRM4RAB9AKDM4EMAPTAGTR1
SCHEMBL14182802 0.79 ALDH1A1 (0.46) RAB9AKDM4EMAPTAGTR1OPRK1
SCHEMBL14182794 0.79 KDR (0.46) GRM4RAB9AKDM4EKDR
SCHEMBL14182799 0.78 GRM4 (0.40) GRM4RAB9AKDM4EKDREGFR
SCHEMBL14182795 0.78 GRM4 (0.48) GRM4RAB9AKDM4EMAPTKMT2A
SCHEMBL14182798 0.78 GRM4 (0.48) GRM4RAB9AKDM4EMAPTKMT2A
SCHEMBL14183000 0.77 RAB9A (0.52) GRM4RAB9AKDM4EMAPTAGTR1

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 1 patent. 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
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