SCHEMBL4725995

SCHEMBL4725995

O=C(O)N1CCC(c2ccc(F)c(Cl)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.56
SPR P35270 2/20 0.46
QDPR P09417 1/20 0.44
MGLL Q99685 4/20 0.43
CCR1 P32246 2/20 0.43
MAPT P10636 1/20 0.43
CYP2D6 P10635 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
USP5 P45974 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HSD11B1 P28845 1/20 0.42
CCR2 P41597 1/20 0.42

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
SCHEMBL4782539 0.88 IDO1 (0.47) IDO1SPRQDPRCCR1MAPT
SCHEMBL3418716 0.86 USP5 (0.50) IDO1QDPRCCR1USP5HDAC6
SCHEMBL17398136 0.84 QDPR (0.56) IDO1SPRQDPRMAPTHSD11B1
SCHEMBL3817499 0.82 QDPR (0.44) IDO1QDPRCCR1USP5HDAC6
SCHEMBL2098866 0.81 HSD11B1 (0.58) IDO1CCR1MAPTKCNH2HSD11B1
SCHEMBL25430208 0.81 QDPR (0.56) IDO1SPRQDPRCCR1USP5
SCHEMBL4846419 0.80 MAPT (0.51) IDO1MAPT
SCHEMBL28096680 0.79 HDAC1 (0.46) IDO1QDPRUSP5HDAC6
SCHEMBL27650942 0.79 QDPR (0.59) QDPR
SCHEMBL5024448 0.79 NPC1 (0.51) IDO1MGLLCYP2D6SLC6A2SLC6A4

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
WO-2008012622-A2 AZABENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO disclosed