SCHEMBL11577773

SCHEMBL11577773

C=CC(c1c[nH]c2ccccc12)N1[CH]CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.39
FFAR1 O14842 2/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 2/20 0.38
JAK2 O60674 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 3/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SRC P12931 1/20 0.36
MEN1 O00255 1/20 0.35
CYP2D6 P10635 2/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL11577771 0.81 LMNA (0.44) GPR84FFAR1LMNAHTTKDM4E
SCHEMBL742887 0.75 GPR84 (0.42) GPR84FFAR1LMNAHTTKDM4E
SCHEMBL4797771 0.74 GPR84 (0.39) GPR84FFAR1LMNAHTTKDM4E
SCHEMBL3380819 0.70 KDM4E (0.54) KDM4EKMT2AHTR2CALDH1A1POLB
SCHEMBL6157434 0.69 GPR84 (0.55) GPR84FFAR1LMNAHTTMAPT
SCHEMBL6985439 0.68 MAPK1 (0.48) GPR84FFAR1LMNAHTTKDM4E
SCHEMBL1066163 0.68 CYP17A1 (0.51) GPR84FFAR1LMNAMAPK1MAPT
SCHEMBL29611508 0.67 GPR84 (0.51) GPR84FFAR1LMNAHTTMAPT
SCHEMBL9060404 0.67 GPR84 (0.51) GPR84FFAR1LMNAHTTMAPT
SCHEMBL11374722 0.67 GPR84 (0.51) GPR84FFAR1LMNAHTTMAPT

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-4177279-A 1-[(3-Indolyl)-alkyl]-piperidyl ureas and hypotensive compositions JOHN WYETH & BROTHER LTD. (GB) 1979-12-04 US disclosed