SCHEMBL14182798

SCHEMBL14182798

O=C(Nc1ccc2cc(-c3ccc(NCC(=O)C4CCCCCC4)cc3)[nH]c2c1)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 6/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ KDR P35968 2/20 0.44
▸ EGFR P00533 1/20 0.44
▸ ERBB2 P04626 1/20 0.44
▸ MET P08581 1/20 0.44
▸ MERTK Q12866 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ITK Q08881 3/20 0.43
▸ ACKR3 P25106 1/20 0.41
▸ NR2E3 Q9Y5X4 1/20 0.41
▸ PKM P14618 2/20 0.40
▸ RXFP2 Q8WXD0 1/20 0.40
▸ LMNA P02545 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
SCHEMBL14182795 1.00 GRM4 (0.48) GRM4SMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL14182799 0.88 GRM4 (0.40) GRM4SMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL14182790 0.88 SMN1; SMN2 (0.52) GRM4SMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL14183007 0.87 GRM4 (0.59) GRM4SMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL14182998 0.87 GRM4 (0.59) GRM4SMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL14183006 0.87 GRM4 (0.59) GRM4SMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL14182794 0.87 KDR (0.46) GRM4SMN1; SMN2NPC1RAB9AKDR
SCHEMBL14182789 0.84 ITK (0.51) SMN1; SMN2NPC1ALDH1A1RAB9AKDM4E
SCHEMBL14182788 0.84 ITK (0.51) SMN1; SMN2NPC1ALDH1A1RAB9AKDM4E
SCHEMBL14183004 0.83 GRM4 (0.53) GRM4SMN1; SMN2NPC1ALDH1A1RAB9A

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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