SCHEMBL10436366

SCHEMBL10436366

CCCCCCCCCCCCCCCCCCON=CCc1ccc2c3cccc4cccc(c5cccc1c52)c43

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
MTNR1A P48039 1/20 0.33
CYP2C9 P11712 1/20 0.32
MCHR1 Q99705 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
GBA1 P04062 2/20 0.31
UGCG Q16739 2/20 0.31
GBA2 Q9HCG7 2/20 0.31
FAAH O00519 1/20 0.31
MGLL Q99685 1/20 0.31
TSHR P16473 1/20 0.31
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HTR1B P28222 1/20 0.30
SLC2A1 P11166 1/20 0.30
DHFR P00374 1/20 0.30

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
SCHEMBL10436376 0.91 MEN1 (0.38) CNR1CNR2MTNR1AMCHR1TDP1
SCHEMBL9853348 0.88 GBA1 (0.35) CNR1CNR2GBA1UGCGGBA2
SCHEMBL9853320 0.82 HTR1B (0.36) HTR1B
SCHEMBL10436525 0.80 GBA1 (0.45) CNR1CNR2MTNR1ACYP2C9MCHR1
SCHEMBL9853313 0.79 GBA1 (0.42) CNR1CNR2TDP1GBA1UGCG
SCHEMBL28495582 0.75 MEN1 (0.46) TDP1TSHRGAA
SCHEMBL4006487 0.73 CNR1 (0.54) CNR1CNR2CYP2C9MCHR1TDP1
Octane SCHEMBL27664965 0.72 KCNH2 (0.48) CNR1CNR2TDP1TSHRGAA
SCHEMBL9853323 0.72 KMT2A (0.38) TDP1GBA1UGCGGBA2FAAH
SCHEMBL29158035 0.72 MEN1 (0.49)

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
EP-0381026-A2 Optical oxygen sensor F. HOFFMANN-LA ROCHE AG (CH) 1990-08-08 EP claimed
EP-0381026-A2 Optical oxygen sensor F. HOFFMANN-LA ROCHE AG (CH) 1990-08-08 EP disclosed