SCHEMBL7553272

SCHEMBL7553272

Cc1cc(C)n2ncc(C3CCN(C(=O)OC(C)(C)C)CC3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.49
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
GPR4 P46093 2/20 0.47
MAPT P10636 3/20 0.46
THRB P10828 2/20 0.46
LMNA P02545 1/20 0.43
IGF1R P08069 1/20 0.43
POLB P06746 1/20 0.43
TP53 P04637 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL10217564 0.74 GPR119 (0.42) GPR119KDM4EHPGDHSD17B10MAPT
SCHEMBL7544915 0.74 PDK4 (0.48) KDM4EGPR4
SCHEMBL31487760 0.73 GPR119 (0.47) GPR119KDM4EHPGDHSD17B10MAPT
SCHEMBL2272318 0.73 ALDH1A1 (0.56) GPR119KDM4EALDH1A1MAPTTHRB
SCHEMBL10217563 0.73 GPR119 (0.41) GPR119ALDH1A1HPGDHSD17B10MAPT
SCHEMBL31487766 0.72 GPR119 (0.48) GPR119KDM4EHPGDHSD17B10MAPT
SCHEMBL14239665 0.72 KDM4E (0.51) GPR119KDM4EMAPTTHRBIGF1R
SCHEMBL31167715 0.72 KMT2A (0.51) GPR119KDM4EALDH1A1HPGDHSD17B10
SCHEMBL20281515 0.72 PDE4B (0.55) GPR119KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30852111 0.72 KDM4E (0.48) GPR119KDM4EALDH1A1HPGDMAPT

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