SCHEMBL7544334

SCHEMBL7544334

CC(C)(C)OC(=O)N1CCC(c2cnc3ccc(-c4ccccc4)cn23)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.52
USP30 Q70CQ3 4/20 0.49
GPR119 Q8TDV5 6/20 0.47
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
LMNA P02545 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.45
TP53 P04637 1/20 0.44
THRB P10828 1/20 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
SCHEMBL947723 0.85 GPR119 (0.49) HPGDSGPR119LMNAKMT2ATP53
SCHEMBL7547603 0.84 POLB (0.48) HPGDSGPR119MEN1KMT2APOLB
SCHEMBL7545748 0.84 GPR119 (0.45) HPGDSGPR119PTPN2PTPN1PTPN6
SCHEMBL949286 0.84 HPGDS (0.49) HPGDSGPR119LMNAMEN1KMT2A
SCHEMBL7546850 0.82 GPR119 (0.43) HPGDSGPR119LMNAMEN1KMT2A
SCHEMBL19385367 0.79 USP30 (0.57) HPGDSUSP30GPR119CKS1BSKP1
SCHEMBL7551025 0.79 GPR119 (0.47) HPGDSGPR119LMNAMEN1KMT2A
SCHEMBL22051946 0.78 NAMPT (0.64) HPGDSUSP30GPR119PTPN2PTPN1
SCHEMBL22050474 0.78 NAMPT (0.64) HPGDSUSP30GPR119PTPN2PTPN1
SCHEMBL949430 0.76 GPR119 (0.50) HPGDSGPR119LMNAMEN1KMT2A

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