SCHEMBL20650421

SCHEMBL20650421

Cc1cccc2c1oc1c(N(I)c3ccccc3C(C)C)cccc12

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 3/20 0.37
CNR2 P34972 2/20 0.37
MCL1 Q07820 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
LMNA P02545 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRB2 P47870 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
GABRG2 P18507 1/20 0.30
GABRB3 P28472 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
SCHEMBL20650383 0.90 GABRA1 (0.34) SIGMAR1LMNAGABRA1GABRB2GABRG2
SCHEMBL20650728 0.85 SIGMAR1 (0.34) SIGMAR1GABRA1GABRB2
SCHEMBL20650739 0.84 ALOX5 (0.35) SIGMAR1LMNAGABRA1GABRB2MAOA
SCHEMBL20172795 0.84 GPR55 (0.38) GPR55CNR2MCL1SIGMAR1LMNA
SCHEMBL20649835 0.83 ALOX5 (0.33) GPR55CNR2SIGMAR1GABRA1GABRB2
SCHEMBL20650483 0.83 SIGMAR1 (0.30) SIGMAR1
SCHEMBL20649840 0.82 ALDH1A1 (0.34) SIGMAR1
SCHEMBL20650422 0.80 ACHE (0.36) MCL1
SCHEMBL20650419 0.80 MCL1 (0.40) MCL1SIGMAR1MAOAMAOB
SCHEMBL20650716 0.80 SIGMAR1 (0.32) SIGMAR1GABRA1GABRB2

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-3428152-B1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2021-11-03 EP disclosed
EP-3428152-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG Chem, Ltd. (KR) 2019-01-16 EP disclosed