SCHEMBL11602369

SCHEMBL11602369

CCCCCc1cc(OCc2ccccc2)c(C2=C(CC#N)CCC(C)C2)c(OCc2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 5/20 0.39
▸ CNR2 P34972 5/20 0.39
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ NR5A2 O00482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TLR4 O00206 1/20 0.32
▸ TLR3 O15455 1/20 0.32
▸ TLR5 O60602 1/20 0.32
▸ TLR2 O60603 1/20 0.32
▸ CAMK2B Q13554 1/20 0.32
▸ CAMK2G Q13555 1/20 0.32
▸ CAMK2D Q13557 1/20 0.32
▸ CAMK1 Q14012 1/20 0.32
▸ CAMK4 Q16566 1/20 0.32
▸ PNCK Q6P2M8 1/20 0.32
▸ CAMK1D Q8IU85 1/20 0.32
▸ CAMK1G Q96NX5 1/20 0.32
▸ TLR9 Q9NR96 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32

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
SCHEMBL11603717 0.89 NR5A2 (0.34) CNR1CNR2MAOAMAOBNR5A2
SCHEMBL11602977 0.87 CNR1 (0.41) CNR1CNR2MAOAMAOBNR5A2
SCHEMBL11602062 0.87 CNR1 (0.43) CNR1CNR2NR5A2BCHE
SCHEMBL11599822 0.87 CNR1 (0.41) CNR1CNR2MAOAMAOBNR5A2
SCHEMBL11601825 0.87 CNR1 (0.42) CNR1CNR2NR5A2BCHE
SCHEMBL11603349 0.86 CNR2 (0.44) CNR1CNR2
SCHEMBL11603101 0.85 — —
SCHEMBL11601227 0.79 CNR2 (0.54) CNR1CNR2CYP1A2CYP3A4CYP2D6
SCHEMBL11602367 0.76 NR5A2 (0.36) CNR1CNR2MAOAMAOBNR5A2
SCHEMBL11602363 0.76 CNR1 (0.36) CNR1CNR2NR5A2HTT

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-4092344-A Cyclohexenyl resorcinol derivatives ELI LILLY AND COMPANY (US) 1978-05-30 — — US disclosed
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