SCHEMBL21799559

SCHEMBL21799559

CCC(C)NC(CN)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.48
HTR2A P28223 1/20 0.43
GPR88 Q9GZN0 3/20 0.42
KDM4E B2RXH2 3/20 0.41
ASPH Q12797 1/20 0.41
KDM8 Q8N371 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
AOC3 Q16853 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL21799759 0.86 TAAR1 (0.46) TAAR1HTR2AGPR88SIGMAR1AOC3
SCHEMBL21799744 0.84 TAAR1 (0.47) TAAR1HTR2ASIGMAR1AOC3LMNA
SCHEMBL21799564 0.83 TAAR1 (0.45) TAAR1HTR2AGPR88KDM4ESIGMAR1
SCHEMBL21799636 0.83 POLB (0.43) TAAR1HTR2AGPR88KDM4ESIGMAR1
SCHEMBL23260715 0.82 TAAR1 (0.54) TAAR1HTR2AGPR88SIGMAR1AOC3
SCHEMBL11626612 0.82 TAAR1 (0.54) TAAR1HTR2AGPR88SIGMAR1AOC3
SCHEMBL25589886 0.82 TAAR1 (0.54) TAAR1HTR2AGPR88SIGMAR1AOC3
SCHEMBL21799497 0.82 TAAR1 (0.46) TAAR1HTR2AGPR88KDM4EAOC3
SCHEMBL21799513 0.82 TAAR1 (0.47) TAAR1HTR2AGPR88KDM4EAOC3
SCHEMBL21799666 0.80 TAAR1 (0.48) TAAR1HTR2ASIGMAR1AOC3CHRNB2

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 5 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
CN-110603273-A Modified block copolymer, method for producing modified block copolymer, and resin composition 旭化成株式会社 2019-12-20 CN disclosed