SCHEMBL16404255

SCHEMBL16404255

Cc1nc(C(=O)NCC2CCCCC2)c(C)n1-c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.70
CNR2 P34972 8/20 0.70
RIPK1 Q13546 1/20 0.54
HTR2A P28223 9/20 0.48
HTR2C P28335 9/20 0.48
SLC6A4 P31645 9/20 0.48
HTR1A P08908 2/20 0.48
DRD2 P14416 2/20 0.48
HTR7 P34969 2/20 0.48
DRD3 P35462 2/20 0.48
HTR6 P50406 2/20 0.48
DRD4 P21917 1/20 0.48
KMT2A Q03164 1/20 0.47
KCNH2 Q12809 1/20 0.46

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
SCHEMBL14173492 0.87 CNR2 (0.54) CNR1CNR2RIPK1KMT2A
SCHEMBL16404223 0.82 CNR2 (0.65) CNR1CNR2KMT2A
SCHEMBL16404434 0.78 CNR2 (0.70) CNR1CNR2HTR2AHTR2CSLC6A4
SCHEMBL16404245 0.76 CNR2 (0.60) CNR1CNR2HTR2AHTR2CSLC6A4
SCHEMBL16404211 0.76 CNR1 (0.68) CNR1CNR2HTR2AHTR2CSLC6A4
SCHEMBL16404239 0.76 CNR2 (0.60) CNR1CNR2HTR2AHTR2CSLC6A4
SCHEMBL16404253 0.76 CNR1 (0.57) CNR1CNR2
SCHEMBL14269469 0.76 RIPK1 (0.48) CNR1CNR2RIPK1KMT2A
SCHEMBL14173508 0.76 RIPK1 (0.48) CNR1CNR2RIPK1KMT2A
SCHEMBL6613583 0.75 PLK1 (0.61) CNR1CNR2RIPK1HTR2AHTR2C

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-8937184-B2 1H-imidazole derivatives as cannabinoid CB2 receptor modulators ABBVIE B.V. (NL) 2015-01-20 US disclosed
US-8937184-B2 1H-imidazole derivatives as cannabinoid CB2 receptor modulators ABBVIE B.V. (NL) 2015-01-20 US disclosed