SCHEMBL7498089

SCHEMBL7498089

CC(C)(C)OC(=O)N1CCC(N2CCc3ccccc3OC2=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.46
TP53 P04637 1/20 0.45
PRMT5 O14744 2/20 0.45
WDR77 Q9BQA1 2/20 0.45
NAMPT P43490 1/20 0.44
KDM4E B2RXH2 2/20 0.43
FPR2 P25090 1/20 0.43
PKM P14618 1/20 0.43
USP30 Q70CQ3 1/20 0.41
KDM1A O60341 2/20 0.41
PRKCG P05129 1/20 0.41
PRKCB P05771 1/20 0.41
PRKCA P17252 1/20 0.41
PRKCH P24723 1/20 0.41
PRKCE Q02156 1/20 0.41
PRKCD Q05655 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 0.41
PTPN2 P17706 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
SCHEMBL2707784 0.82 GPR119 (0.52) GPR119TP53PRMT5WDR77NAMPT
SCHEMBL7505690 0.81 L3MBTL1 (0.43) PRMT5WDR77MAPT
SCHEMBL1820339 0.79 CALCRL (0.50) GPR119TP53PRMT5WDR77NAMPT
Hydrochloric Acid SCHEMBL7496829 0.76 HTR2C (0.47) TP53
SCHEMBL7402556 0.76 USP30 (0.43) GPR119PRMT5WDR77NAMPTKDM4E
SCHEMBL4900251 0.76 GPR119 (0.49) GPR119TP53PRMT5WDR77NAMPT
SCHEMBL12372577 0.75 MAPK1 (0.47) GPR119TP53PRMT5WDR77NAMPT
SCHEMBL12511957 0.75 NAMPT (0.53) GPR119TP53PRMT5WDR77NAMPT
SCHEMBL3098616 0.75 TP53 (0.51) GPR119TP53NAMPTKDM4EPKM
SCHEMBL3940077 0.75 USP30 (0.49) GPR119PRMT5WDR77NAMPTUSP30

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