SCHEMBL7682979

SCHEMBL7682979

CCCCCC1(C#N)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTSK P43235 1/20 0.40
CNR2 P34972 1/20 0.39
GPR119 Q8TDV5 3/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
JAK2 O60674 3/20 0.36
JAK1 P23458 3/20 0.36
SPHK1 Q9NYA1 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL28709409 0.91 USP2 (0.43) USP2SMN1; SMN2CTSKGPR119MEN1
SCHEMBL21325460 0.88 CYP4F2 (0.43) USP2SMN1; SMN2CTSKGPR119MEN1
SCHEMBL16650460 0.87 USP2 (0.40) USP2SMN1; SMN2CTSKGPR119MEN1
SCHEMBL12598226 0.86 DPP4 (0.41) USP2SMN1; SMN2CTSKGPR119MEN1
SCHEMBL2798365 0.85 USP2 (0.43) USP2SMN1; SMN2CTSKGPR119MEN1
SCHEMBL17830842 0.85 USP2 (0.45) USP2SMN1; SMN2CTSKGPR119MEN1
SCHEMBL29222475 0.83 USP2 (0.41) USP2SMN1; SMN2CTSKGPR119MEN1
SCHEMBL21325459 0.83 USP2 (0.41) USP2SMN1; SMN2CTSKGPR119MEN1
SCHEMBL23071129 0.82 USP2 (0.45) USP2SMN1; SMN2CTSKGPR119MEN1
SCHEMBL1476907 0.82 USP2 (0.45) USP2SMN1; SMN2CTSKGPR119MEN1

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
US-6436962-B1 ALPHA 1A ADRENERGIC RECEPTOR ANTAGONISTS; RELIEF FROM BENIGN PROSTATIC HYPERPLASIA BY LESS HINDERED URINE FLOW BY RELAXING SMOOTH MUSCLE TISSUE; WITH A TESTOSTERONE 5-ALPHA REDUCTASE INHIBITOR, FINASTERIDE; ACUTE AND CHRONIC RELIEF MERCK & CO., INC. 2002-08-20 US disclosed
US-6339090-B1 FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2002-01-15 US disclosed
US-6316437-B1 ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. 2001-11-13 US disclosed
WO-2000006565-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-02-10 WO disclosed