SCHEMBL7550308

SCHEMBL7550308

CC(C)(C)OC(=O)N1CCC(c2cnc3cc(Cl)ccn23)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
USP2 O75604 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 4/20 0.47
TP53 P04637 3/20 0.47
POLB P06746 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
THRB P10828 1/20 0.45
STS P08842 1/20 0.45
CNR1 P21554 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
GPR119 Q8TDV5 2/20 0.44

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
SCHEMBL949430 0.88 GPR119 (0.50) MEN1KMT2AMAPTTP53LMNA
SCHEMBL5764304 0.87 KDM4E (0.45) MEN1KMT2ANPSR1USP2HPGD
SCHEMBL7540867 0.86 HTT (0.50) MEN1KMT2ANPSR1HPGDHSD17B10
SCHEMBL949286 0.84 HPGDS (0.49) MEN1KMT2AMAPTTP53POLB
SCHEMBL947668 0.81 GPR119 (0.52) HPGDMAPTKDM4ETHRBGPR119
SCHEMBL19385367 0.79 USP30 (0.57) MAPTTP53GPR119
SCHEMBL947723 0.78 GPR119 (0.49) KMT2AMAPTTP53LMNAKDM4E
SCHEMBL7547603 0.77 POLB (0.48) MEN1KMT2ATP53POLBSMN1; SMN2
SCHEMBL7545748 0.77 GPR119 (0.45) MEN1KMT2ANPSR1USP2HPGD
SCHEMBL20986055 0.76 CCNK (0.48) MAPTCNR1ALDH1A1GPR119

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