SCHEMBL7545748

SCHEMBL7545748

CC(C)(C)OC(=O)N1CCC(c2cnc3ccc(Br)cn23)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.45
HPGDS O60760 1/20 0.43
THRB P10828 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
FPR2 P25090 2/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 1/20 0.42
LMNA P02545 1/20 0.41
NAMPT P43490 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41

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
SCHEMBL947723 0.88 GPR119 (0.49) GPR119HPGDSTHRBKDM4EMAPT
SCHEMBL7547603 0.87 POLB (0.48) GPR119HPGDSTHRBMEN1KMT2A
SCHEMBL7546850 0.84 GPR119 (0.43) GPR119HPGDSTHRBKDM4EMAPT
SCHEMBL7544334 0.84 HPGDS (0.52) GPR119HPGDSTHRBMEN1KMT2A
SCHEMBL949286 0.82 HPGDS (0.49) GPR119HPGDSTHRBKDM4EMAPT
SCHEMBL7551025 0.82 GPR119 (0.47) GPR119HPGDSTHRBKDM4EMAPT
SCHEMBL19950942 0.81 DDB1 (0.52) GPR119HPGDSTHRBKDM4EMAPT
SCHEMBL4207858 0.81 FPR2 (0.46) GPR119HPGDSTHRBKDM4EMAPT
SCHEMBL17379344 0.81 NPBWR1 (0.45) GPR119
SCHEMBL26664201 0.79 HPGD (0.47) GPR119THRBKDM4EMAPTFPR2

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-1171122-A4 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2002-05-29 EP disclosed
EP-1171122-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2002-01-16 EP disclosed
US-6248755-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; AUTOIMMUNE DISEASES MERCK & CO., INC. 2001-06-19 US disclosed
WO-2000059502-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-10-12 WO disclosed