SCHEMBL7499379

SCHEMBL7499379

CC(C)(CI)CC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
KDM4E B2RXH2 2/20 0.48
PKM P14618 1/20 0.48
RECQL P46063 1/20 0.47
EPHX1 P07099 1/20 0.47
FAAH O00519 1/20 0.46
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GPR119 Q8TDV5 7/20 0.45
NR1H2 P55055 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL6749268 0.86 HPGD (0.50) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL7834433 0.85 HPGD (0.55) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL735207 0.84 HPGD (0.54) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL310276 0.83 HPGD (0.53) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL7512914 0.83 HPGD (0.53) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL447042 0.82 HPGD (0.55) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL18711867 0.81 HPGD (0.51) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL22648884 0.81 HPGD (0.51) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL6747684 0.81 MEN1 (0.48) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL7400409 0.81 HPGD (0.54) HPGDKDM4EPKMRECQLEPHX1

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-1173170-A4 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2002-05-29 EP disclosed
EP-1173170-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2002-01-23 EP disclosed
US-6265434-B1 ANTIINFLAMMATORY AGENTS MERCK & CO., INC. 2001-07-24 US disclosed
WO-2000059503-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-10-12 WO disclosed