SCHEMBL9689657

SCHEMBL9689657

COC(=O)CCCCc1ccc(N)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.48
EPHX2 P34913 1/20 0.47
TSHR P16473 1/20 0.47
HPGD P15428 1/20 0.47
CYP4A11 Q02928 3/20 0.46
CYP4F2 P78329 2/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
P2RY12 Q9H244 1/20 0.46
CYP4Z1 Q86W10 1/20 0.45

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
SCHEMBL17262795 0.98 HPGD (0.49) MAOBEPHX2TSHRHPGDCYP4A11
SCHEMBL23200335 0.98 HPGD (0.49) MAOBEPHX2TSHRHPGDCYP4A11
SCHEMBL1351101 0.95 TSHR (0.48) MAOBEPHX2TSHRCYP4A11CYP4F2
Hydrochloric Acid SCHEMBL1789073 0.93 MAOB (0.47) MAOBEPHX2TSHRCYP4A11CYP4F2
SCHEMBL1310411 0.90 EPHX2 (0.45) MAOBEPHX2TSHRCYP4A11CYP4F2
SCHEMBL223653 0.87 CYP4F2 (0.50) EPHX2TSHRCYP4A11CYP4F2
SCHEMBL15522658 0.86 CYP4A11 (0.64) MAOBHPGDCYP4A11CYP4F2
Hydrochloric Acid SCHEMBL7282073 0.86 CYP4F2 (0.49) MAOBEPHX2CYP4A11CYP4F2
SCHEMBL22921868 0.85 TSHR (0.58) EPHX2TSHRCYP4A11CYP4F2CYP4Z1
SCHEMBL2158877 0.84 CALM1 (0.53) EPHX2TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104130247-A Human T2R bitter taste receptors and the use thereof SENOMYX INC 2014-11-05 CN disclosed
CN-101828111-B Human T2R bitter taste receptor and uses thereof SENOMYX INC 2014-07-23 CN disclosed
CN-101828111-A Human T2R bitter taste receptor and uses thereof SENOMYX INC 2010-09-08 CN disclosed
CN-1366524-A Sulfonamide Derivatives as Matrix Metalloproteinase Inhibitors SAMSUNG ELECTRONICS CO LTD (KR) 2002-08-28 CN disclosed
EP-0181592-B1 USE OF SPERGUALIN DERIVATIVES FOR THE PREPARATION OF MEDICAMENTS HAVING IMMUNOSUPPRESSIVE ACTIVITY MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1992-09-16 EP disclosed
US-4851446-A SPERGUALIN-LIKE GUANIDINES ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1989-07-25 US disclosed
EP-0153720-B1 SPERGUALIN-RELATED COMPOUNDS HAVING A PHENYLENE GROUP, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1988-11-09 EP disclosed
CN-85101425-A Have Si Baige Eyring allied compound of phenylene and preparation method thereof 1987-01-17 CN disclosed
EP-0181592-A2 Use of spergualin derivatives for the preparation of medicaments having immunosuppressive activity MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1986-05-21 EP disclosed
US-4556735-A BACTERICIDE, ANTITUMOR AGENT ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYUKAI (JP) 1985-12-03 US disclosed
EP-0153720-A2 Spergualin-related compounds having a phenylene group, a process for their preparation and their use as medicaments MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1985-09-04 EP disclosed