SCHEMBL1376582

SCHEMBL1376582

[CH2]C(CC)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.50
SIGMAR1 Q99720 5/20 0.48
TAAR1 Q96RJ0 4/20 0.48
SLC6A2 P23975 2/20 0.48
MAOA P21397 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
CYP2A6 P11509 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
EPHX1 P07099 1/20 0.46
TP53 P04637 1/20 0.46
SLC18A2 Q05940 1/20 0.45
CYP2D6 P10635 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
SCHEMBL1287678 0.85 EPHX1 (0.55) TRPA1SIGMAR1TAAR1SLC6A2MAOA
SCHEMBL28256757 0.82 SIGMAR1 (0.46) TRPA1SIGMAR1TAAR1SLC6A2MAOA
SCHEMBL28256781 0.79 CSNK1E (0.47) TRPA1SIGMAR1TAAR1SLC6A2MAOA
SCHEMBL523308 0.78 EPHX1 (0.48) TRPA1SIGMAR1TAAR1SLC6A2MAOA
SCHEMBL6986122 0.77 LMNA (0.47) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL11144368 0.77 TRPA1 (0.47) TRPA1TAAR1MAOA
SCHEMBL2332475 0.77 TP53 (0.42) SIGMAR1TAAR1TP53
SCHEMBL5617480 0.77 CSNK1E (0.54) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL5657750 0.76 EPHX1 (0.52) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL8780026 0.76 TRPA1 (0.54) TRPA1SIGMAR1TAAR1SLC6A2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4754068-B2 2011-08-24 JP claimed
US-6172064-B1 METALLOPROTEASE INHIBITOR; ANTIARTHRITIC AGENTS, ANTIDIABETIC AGENTS; ANTITUMOR AGENTS GLAXO WELLCOME INC. 2001-01-09 US claimed
EP-1049676-A1 4- ARYL(PIPERIDIN-4-YL)] AMINOBENZAMIDES WHICH BIND TO THE DELTA-OPIOID RECEPTOR Ortho-Mcneil Pharmaceutical, Inc. (US) 2000-11-08 EP claimed
WO-2000012082-A1 FORMAMIDE COMPOUNDS AS THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2000-03-09 WO claimed
WO-1999033806-A1 4-[ARYL(PIPERIDIN-4-YL)] AMINOBENZAMIDES WHICH BIND TO THE DELTA-OPIOID RECEPTOR ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-07-08 WO claimed
CN-111699186-B C 2 -C 3 Alkenyl substituted ruimide dyes, curable silicone compositions and C 2 -C 3 Cured products of alkenyl substituted ruimide dyes 巴斯夫欧洲公司 2024-03-05 CN disclosed
WO-2002044284-A1 TRISAZO DYES BASF AKTIENGESELLSCHAFT (DE) 2002-06-06 WO disclosed
US-6329400-B1 INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS GLAXO WELLCOME INC. 2001-12-11 US disclosed
US-6172064-B1 METALLOPROTEASE INHIBITOR; ANTIARTHRITIC AGENTS, ANTIDIABETIC AGENTS; ANTITUMOR AGENTS GLAXO WELLCOME INC. 2001-01-09 US disclosed
EP-1049676-A1 4- ARYL(PIPERIDIN-4-YL)] AMINOBENZAMIDES WHICH BIND TO THE DELTA-OPIOID RECEPTOR Ortho-Mcneil Pharmaceutical, Inc. (US) 2000-11-08 EP disclosed
US-6003987-A Ink set recording apparatus and method using ink set having a dye that becomes insoluble when mixed with another dye CANON KABUSHIKI KAISHA (JP) 1999-12-21 US disclosed
WO-1999033806-A1 4-[ARYL(PIPERIDIN-4-YL)] AMINOBENZAMIDES WHICH BIND TO THE DELTA-OPIOID RECEPTOR ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-07-08 WO disclosed
US-5767286-A REACTING A TETRAZOLINONE WITH A CARBAMOYL CHLORIDE IN THE PRESENCE OF 4-DIMETHYLAMINOPYRIDINE NIHON BAYER AGROCHEM K. K. (JP) 1998-06-16 US disclosed