SCHEMBL4699680

SCHEMBL4699680

O=C(c1ccc(-c2ccccc2)c(Cl)c1Cl)N1CCOC(c2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.47
USP30 Q70CQ3 2/20 0.43
P2RX7 Q99572 2/20 0.39
KRAS P01116 3/20 0.39
MGLL Q99685 2/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
CCR5 P51681 1/20 0.38
PDE2A O00408 1/20 0.38

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
SCHEMBL4465522 0.79 CNR2 (0.62) CNR2USP30MGLLPDE2A
SCHEMBL487499 0.78 KDM4E (0.45) CNR2USP30P2RX7KRASPDE2A
SCHEMBL23901483 0.77 USP30 (0.45) CNR2USP30P2RX7KRASCCR5
SCHEMBL4462669 0.77 CNR2 (0.60) CNR2USP30MGLLPDE2A
SCHEMBL4730362 0.74 USP30 (0.55) CNR2USP30TSHRPDE2A
SCHEMBL4730357 0.74 USP30 (0.55) CNR2USP30TSHRPDE2A
SCHEMBL4699677 0.74 CNR2 (0.48) CNR2USP30PDE2A
SCHEMBL14413642 0.73 USP30 (0.54) CNR2USP30TSHRPDE2A
SCHEMBL23901474 0.72 SPR (0.48) CNR2USP30P2RX7KRASPDE2A
SCHEMBL25453440 0.72 USP30 (0.54) CNR2USP30TSHRPDE2A

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-1966132-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-10 EP disclosed
WO-2007070760-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 WO disclosed