SCHEMBL21799513

SCHEMBL21799513

CCC(NC(CN)c1ccccc1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.47
HTR2A P28223 1/20 0.41
GPR88 Q9GZN0 3/20 0.40
AOC3 Q16853 3/20 0.38
LMNA P02545 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
GABBR2 O75899 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 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
SCHEMBL21799559 0.82 TAAR1 (0.48) TAAR1HTR2AGPR88AOC3LMNA
SCHEMBL21799597 0.80 TAAR1 (0.52) TAAR1HTR2AGPR88AOC3SLC6A2
SCHEMBL21799564 0.80 TAAR1 (0.45) TAAR1HTR2AGPR88LMNAKDM4E
SCHEMBL23260715 0.80 TAAR1 (0.54) TAAR1HTR2AGPR88AOC3SLC6A2
SCHEMBL11626612 0.80 TAAR1 (0.54) TAAR1HTR2AGPR88AOC3SLC6A2
SCHEMBL25589886 0.80 TAAR1 (0.54) TAAR1HTR2AGPR88AOC3SLC6A2
SCHEMBL21799497 0.79 TAAR1 (0.46) TAAR1HTR2AGPR88AOC3LMNA
SCHEMBL21799666 0.77 TAAR1 (0.48) TAAR1HTR2AAOC3SLC6A2SLC6A4
SCHEMBL20754719 0.77 TAAR1 (0.50) TAAR1HTR2AGPR88AOC3SLC6A4
SCHEMBL21799759 0.76 TAAR1 (0.46) TAAR1HTR2AGPR88AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110603273-B Modified block copolymer, method for producing modified block copolymer, and resin composition 旭化成株式会社 2022-10-14 CN disclosed
US-11124593-B2 Modified block copolymer, method for producing modified block copolymer, and resin composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-09-21 US disclosed
US-20200199282-A1 Modified Block Copolymer, Method for Producing Modified Block Copolymer, and Resin Composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-06-25 US disclosed
EP-3623398-A1 MODIFIED BLOCK COPOLYMER, METHOD FOR PRODUCING MODIFIED BLOCK COPOLYMER, AND RESIN COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2020-03-18 EP disclosed