SCHEMBL6985439

SCHEMBL6985439

[CH2]C(c1c[nH]c2ccccc12)N1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.48
KDM4E B2RXH2 1/20 0.48
JAK2 O60674 1/20 0.47
RAB9A P51151 1/20 0.47
GPR84 Q9NQS5 3/20 0.46
FFAR1 O14842 2/20 0.46
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 2/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.41
CYP2D6 P10635 2/20 0.41
BCHE P06276 1/20 0.41
TP53 P04637 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
SCHEMBL9456621 0.81 GPR84 (0.54) MAPK1HTTLMNAKDM4EJAK2
SCHEMBL11577771 0.81 LMNA (0.44) MAPK1HTTLMNAKDM4EJAK2
SCHEMBL5261760 0.79 GPR84 (0.46) MAPK1HTTLMNAKDM4EJAK2
SCHEMBL5260086 0.77 GPR84 (0.47) MAPK1HTTLMNAKDM4EJAK2
SCHEMBL28293849 0.77 LMNA (0.44) MAPK1HTTLMNAKDM4EJAK2
SCHEMBL17232879 0.75 GPR84 (0.62) GPR84FFAR1ALDH1A1MAPTHTR2A
SCHEMBL28093308 0.75 P4HB (0.44) MAPK1HTTLMNAKDM4EJAK2
SCHEMBL28295738 0.74 OPRL1 (0.44) MAPK1HTTLMNAKDM4EJAK2
SCHEMBL6888701 0.71 GPR84 (0.56) GPR84FFAR1ALDH1A1L3MBTL1MAPT
SCHEMBL5641546 0.71 GPR84 (0.56) GPR84FFAR1ALDH1A1MAPTHTR2A

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
EP-1131321-B1 INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS LILLY CO ELI (GB) 2003-09-10 EP disclosed