SCHEMBL8029062

SCHEMBL8029062

Cc1ccccc1C1CC(C#N)CCC1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
ALDH1A1 P00352 6/20 0.37
HPGD P15428 5/20 0.37
HSD17B10 Q99714 2/20 0.37
ALOX15 P16050 2/20 0.37
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HTR2C P28335 4/20 0.35
HTR2A P28223 2/20 0.35
HTR2B P41595 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
MAPT P10636 5/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
USP2 O75604 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL23002152 0.78 DDB1 (0.50) DDB1CRBNALDH1A1HPGDHSD17B10
SCHEMBL2329301 0.73 DDB1 (0.54) DDB1CRBNALDH1A1HPGDHSD17B10
SCHEMBL4132442 0.71 DDB1 (0.53) DDB1CRBNALDH1A1HPGDHSD17B10
SCHEMBL15874850 0.71 DDB1 (0.53) DDB1CRBNALDH1A1HPGDHSD17B10
SCHEMBL24815345 0.71 DDB1 (0.53) DDB1CRBNALDH1A1HPGDHSD17B10
SCHEMBL29973239 0.71 DDB1 (0.53) DDB1CRBNALDH1A1HPGDHSD17B10
SCHEMBL11099324 0.70 SRD5A1 (0.38) ALDH1A1KDM4EMAPTKMT2A
SCHEMBL11206268 0.70 DDB1 (0.47) DDB1CRBNALDH1A1HPGDKDM4E
SCHEMBL7876855 0.69 DDB1 (0.43) DDB1CRBNHTR2C
SCHEMBL8018754 0.67 ALDH1A1 (0.45) CRBNALDH1A1KDM4ETSHRMAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1014973-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2000-09-20 EP disclosed
EP-1014973-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-07-05 EP disclosed
EP-1003511-A1 ALPHA 1aADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-05-31 EP disclosed
US-6057350-A Alpha 1a adrenergic receptor antagonists MERCK & CO., INC. (US) 2000-05-02 US disclosed
WO-1998057639-A1 ALPHA 1aADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-12-23 WO disclosed
WO-1998057632-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-12-23 WO disclosed