SCHEMBL6680643

SCHEMBL6680643

CN(C)CCc1ccc(N(S)C(N)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.50
TAAR1 Q96RJ0 4/20 0.46
LMNA P02545 1/20 0.39
THRA P10827 2/20 0.37
THRB P10828 2/20 0.37
ACHE P22303 1/20 0.37
AOC3 Q16853 5/20 0.36

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
SCHEMBL7688796 0.79 CAPN1 (0.43) LMNAAOC3
SCHEMBL3428503 0.79 ALDH1A1 (0.51) LMNATHRATHRBACHE
SCHEMBL725811 0.78 MAPT (0.32)
SCHEMBL3600523 0.76 KEAP1 (0.51) HRH3ACHE
SCHEMBL9283021 0.75 HRH3 (0.56) HRH3TAAR1THRATHRB
SCHEMBL6833465 0.74 CA2 (0.48) LMNA
SCHEMBL18762839 0.73 HRH3 (0.84) HRH3TAAR1AOC3
SCHEMBL3566684 0.72 ALOX5 (0.44) LMNA
SCHEMBL7258362 0.72 HRH3 (0.61) HRH3TAAR1AOC3
SCHEMBL10262063 0.72 HRH3 (0.67) HRH3TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP disclosed
US-6534546-B1 Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-18 US disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP disclosed