SCHEMBL4637330

SCHEMBL4637330

CCC(N)c1ccc(OC)cc1OC1CCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.43
KMT2A Q03164 1/20 0.43
IDO1 P14902 2/20 0.42
HTR2A P28223 2/20 0.39
DRD1 P21728 1/20 0.39
GID4 Q8IVV7 1/20 0.39
ATM Q13315 1/20 0.39
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NQO2 P16083 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36

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
SCHEMBL4637260 0.81 FFAR1 (0.39) FFAR1KMT2A
SCHEMBL4637327 0.81 FFAR1 (0.43) FFAR1KMT2AIDO1
SCHEMBL4637290 0.78 ALDH1A1 (0.51) FFAR1KMT2AIDO1DRD1GID4
SCHEMBL7425981 0.77 KMT2A (0.47) FFAR1KMT2AIDO1HTR2ADRD1
SCHEMBL15490529 0.74 CA12 (0.48) KMT2AHTR2A
SCHEMBL3546305 0.70 MTNR1A (0.55) KMT2ADRD1GID4ATMTSHR
SCHEMBL11998990 0.69 FFAR1 (0.60) FFAR1IDO1
SCHEMBL227440 0.68 DRD2 (0.47) HTR2A
SCHEMBL7425987 0.67 SMPD1 (0.47) IDO1ATMKDM4E
SCHEMBL21142124 0.66 IDO1 (0.54) FFAR1IDO1GID4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1468991-B1 Imides as PDE III, PDE IV and TNF inhibitors CELGENE CORP (US) 2008-02-20 EP disclosed
EP-1468991-A1 Imides as PDE III, PDE IV and TNF inhibitors CELGENE CORPORATION (US) 2004-10-20 EP disclosed
EP-0874819-B1 IMIDES AS PDE III, PDE IV AND TNF INHIBITORS CELGENE CORP (US) 2004-05-26 EP disclosed
US-5728844-A INHIBITORS OF TUMOR NECROSIS AND PHOSPHODIESTERASE CELGENE CORPORATION (US) 1998-03-17 US disclosed