SCHEMBL5840221

SCHEMBL5840221

Cc1cccc(C)c1NCCNc1c(C)cccc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
HTT P42858 2/20 0.54
CYP1A2 P05177 4/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
CYP2A6 P11509 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NFKB1 P19838 1/20 0.41
TSHR P16473 1/20 0.40
ACHE P22303 1/20 0.40
ALDH1A1 P00352 4/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL814598 0.93 MAPT (0.48) MAPTHTTCYP1A2CYP2C9CYP2C19
SCHEMBL6065173 0.91 MAPT (0.46) MAPTHTTCYP1A2CYP2C9CYP2C19
SCHEMBL816147 0.91 MAPT (0.46) MAPTHTTCYP1A2CYP2C9CYP2C19
SCHEMBL814657 0.91 MAPT (0.46) MAPTHTTCYP1A2CYP2C9CYP2C19
SCHEMBL814019 0.91 MAPT (0.46) MAPTHTTCYP1A2CYP2C9CYP2C19
SCHEMBL814335 0.91 MAPT (0.46) MAPTHTTCYP1A2CYP2C9CYP2C19
SCHEMBL814427 0.91 MAPT (0.46) MAPTHTTCYP1A2CYP2C9CYP2C19
SCHEMBL5840516 0.90 MAPT (0.44) MAPTHTTCYP1A2CYP2C9CYP2C19
SCHEMBL5838710 0.90 MAPT (0.44) MAPTHTTCYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL814618 0.89 MAPT (0.45) MAPTHTTCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115043868-B Five-membered cyclic aminosilane external electron donor, preparation method and application thereof 中国科学院化学研究所 2024-10-29 CN claimed
WO-1998045039-A1 POLYMERIZATION CATALYSTS CONTAINING ELECTRON-WITHDRAWING AMIDE LIGANDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-10-15 WO claimed
CN-115043868-B Five-membered cyclic aminosilane external electron donor, preparation method and application thereof 中国科学院化学研究所 2024-10-29 CN disclosed
CN-115043868-A Five-membered cyclic aminosilane external electron donor, preparation method and application thereof 中国科学院化学研究所 2022-09-13 CN disclosed
WO-2012021093-A1 METHOD FOR REMOVING WEAKLY SOLUBLE DEPOSITS OF A HIGH‑MOLECULAR‑WEIGHT POLYMER FROM POLYMERIZATION EQUIPMENT (VARIANT EMBODIMENTS) ЗАКРЫТОЕ АКЦИОНЕРНОЕ ОБЩЕСТВО "СИБУР ХОЛДИНГ" (RU) 2012-02-16 WO disclosed
WO-2011149388-A1 RUTHENIUM CATALYST FOR THE METATHESIS POLYMERIZATION OF DICYCLOPENTADIENE (EMBODIMENTS) AND METHOD FOR PRODUCING POLYDICYCLOPENTADIENE (EMBODIMENTS) ЗАКРЫТОЕ АКЦИОНЕРНОЕ ОБЩЕСТВО "СИБУР ХОЛДИНГ" (RU) 2011-12-01 WO disclosed
US-6992034-B2 Catalyst component for olefin polymerization FORMOSA PLASTICS CORPORATION, U.S.A. (US) 2006-01-31 US disclosed
US-20050009690-A1 Catalyst component for olefin polymerization FORMOSA PLASTICS CORPORATIONS, U.S.A. 2005-01-13 US disclosed
US-6335303-B1 EFFECTIVE IN POLYMERIZATION OF ALPHA OLEFINS TO HIGH MOLECULAR WEIGHT POLYMERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-01-01 US disclosed
WO-1998045039-A1 POLYMERIZATION CATALYSTS CONTAINING ELECTRON-WITHDRAWING AMIDE LIGANDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-10-15 WO disclosed
US-4369325-A ANTIPHLOGISTIC AND DIURETIC ACTIVITY EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1983-01-18 US disclosed
US-4284642-A DIURETICS, ANTIPHLOGISTICS EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1981-08-18 US disclosed