SCHEMBL3792986

SCHEMBL3792986

Cc1c[nH]c(=O)n(CCCCl)c1=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.47
ADRA1A P35348 7/20 0.44
ADRA1B P35368 7/20 0.44
ADRA1D P25100 6/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ADORA2A P29274 3/20 0.37
ADORA2B P29275 3/20 0.37
ADORA3 P0DMS8 2/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
BRD4 O60885 1/20 0.33

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
SCHEMBL15110502 0.89 SLC9A1 (0.51) SLC9A1ADRA1AADRA1BADRA1DCYP3A4
SCHEMBL16581427 0.84 ADORA2A (0.48) SLC9A1ADRA1AADRA1BADRA1DCYP3A4
SCHEMBL7833004 0.81 ADRA1D (0.43) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
SCHEMBL8876920 0.76 SLC9A1 (0.53) SLC9A1ADRA1AADRA1BADRA1DCYP3A4
SCHEMBL7822379 0.76 ADRA1A (0.50) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
SCHEMBL30555617 0.75 SLC9A1 (0.46) SLC9A1ADRA1AADRA1BADRA1DCYP3A4
SCHEMBL6926451 0.75 SLC9A1 (0.52) SLC9A1PDE4APDE4BPDE4CPDE4D
SCHEMBL1058810 0.74 SLC9A1 (0.55) SLC9A1ADRA1AADRA1BADRA1DCYP3A4
SCHEMBL7643597 0.74 SLC9A1 (0.63) SLC9A1ADRA1AADRA1BADRA1DCYP3A4
SCHEMBL11507992 0.72 LMNA (0.46) CYP3A4BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557182-B2 Site selectively tagged and templated molecularly imprinted polymers for sensor applications THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2013-10-15 US disclosed
US-8377717-B2 Site selectively tagged and templated molecularly imprinted polymers for sensor applications THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2013-02-19 US disclosed
US-20100233828-A1 Site Selectively Tagged and Templated Molecularly Imprinted Polymers for Sensor Applications RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK, THE (US) 2010-09-16 US disclosed
EP-1699832-A2 SITE SELECTIVELY TAGGED AND TEMPLATED MOLECULARLY IMPRINTED POLYMERS FOR SENSOR APPLICATIONS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2006-09-13 EP disclosed
EP-0949250-B1 Process for manufacturing alpha1L-adrenoceptor antagonists HOFFMANN LA ROCHE (CH) 2006-05-03 EP disclosed
US-20050227258-A1 Site selectively tagged and templated molecularly imprinted polymers for sensor applications NATIONAL SCIENCE FOUNDATION 2005-10-13 US disclosed
WO-2005056613-A2 SITE SELECTIVELY TAGGED AND TEMPLATED MOLECULARLY IMPRINTED POLYMERS FOR SENSOR APPLICATIONS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2005-06-23 WO disclosed
EP-0748800-B1 Pyrimidinedione, pyrimidinetrione, triazinedione derivatives as alpha-1-adrenergic receptor antagonists HOFFMANN LA ROCHE (CH) 2001-05-09 EP disclosed
US-5859014-A USEFUL IN TREATMENT OF DISEASES INVOLVING DIRECTLY OR INDIRECTLY AN OBSTRUCTION OF THE LOWER URINARY TRACT, SUCH ASBENIGN PROSTATE HYPERPLASIA SYNTEX (U.S.A.) INC. (US) 1999-01-12 US disclosed
EP-0748800-A2 Pyrimidinedione, pyrimidinetrione, triazinedione, tetrahydroquinazolinedione derivatives as alpha-1-adrenergic receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 1996-12-18 EP disclosed