SCHEMBL11766291

SCHEMBL11766291

CCCCCN1CN(CCCCC)c2c1ccc1ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 2/20 0.44
▸ CNR2 P34972 8/20 0.39
▸ CNR1 P21554 5/20 0.39
▸ FAAH O00519 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ GAA P10253 4/20 0.38
▸ HTT P42858 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ GLA P06280 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ RCE1 Q9Y256 1/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37

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
SCHEMBL22802097 0.94 TLR8 (0.42) TLR8CNR2CNR1FAAHMGLL
SCHEMBL7065366 0.77 ALDH1A1 (0.50) CNR2CNR1ALDH1A1KDM4EHTT
SCHEMBL28238080 0.77 ALDH1A1 (0.50) CNR2CNR1ALDH1A1KDM4EHTT
SCHEMBL10496061 0.75 TLR8 (0.41) TLR8CNR2CNR1ALDH1A1KDM4E
Bromide SCHEMBL28537895 0.75 ALDH1A1 (0.53) ALDH1A1KDM4ENPC1HTTRAB9A
Bromide SCHEMBL11425322 0.75 ALDH1A1 (0.53) ALDH1A1KDM4ENPC1HTTRAB9A
SCHEMBL18966405 0.73 DRD3 (0.44) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
Phenanthrene SCHEMBL29016443 0.72 ALDH1A1 (0.63) TLR8ALDH1A1KDM4ENPC1GAA
SCHEMBL13737178 0.72 TLR8 (0.39) TLR8CNR2CNR1FAAHMGLL
Bromide SCHEMBL28461115 0.71 ALDH1A1 (0.43) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2

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-4011083-A SURFACE SENSITIVE SILVER HALIDE EMULSION CONTAINING A SILVER COMPLEXING AZAINDENE TO REDUCE DESENSITIZATION OF OPTICAL SENSITIZING DYE INCORPORATED THEREIN EASTMAN KODAK COMPANY (US) 1977-03-08 — — US disclosed
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