SCHEMBL21799666

SCHEMBL21799666

CC(NC(CN)c1ccccc1)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.48
SLC6A3 Q01959 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A2 P23975 1/20 0.45
HTR2A P28223 1/20 0.42
CACNA1F O60840 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA2B P18089 1/20 0.40
CHRM3 P20309 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
OPRK1 P41145 1/20 0.40
CACNA1D Q01668 1/20 0.40
KCNH2 Q12809 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40
SCN5A Q14524 1/20 0.40
AOC3 Q16853 2/20 0.39
RIPK1 Q13546 2/20 0.38

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
SCHEMBL21799597 0.81 TAAR1 (0.52) TAAR1SLC6A3SLC6A4SLC6A2HTR2A
SCHEMBL23260715 0.81 TAAR1 (0.54) TAAR1SLC6A3SLC6A4SLC6A2HTR2A
SCHEMBL11626612 0.81 TAAR1 (0.54) TAAR1SLC6A3SLC6A4SLC6A2HTR2A
SCHEMBL25589886 0.81 TAAR1 (0.54) TAAR1SLC6A3SLC6A4SLC6A2HTR2A
SCHEMBL21799559 0.80 TAAR1 (0.48) TAAR1HTR2AAOC3CHRNB2CHRNA4
SCHEMBL21799744 0.79 TAAR1 (0.47) TAAR1SLC6A3SLC6A4SLC6A2HTR2A
SCHEMBL20754719 0.78 TAAR1 (0.50) TAAR1SLC6A3SLC6A4HTR2AHRH1
SCHEMBL21799759 0.77 TAAR1 (0.46) TAAR1HTR2AHRH1AOC3SIGMAR1
SCHEMBL21799513 0.77 TAAR1 (0.47) TAAR1SLC6A3SLC6A4SLC6A2HTR2A
SCHEMBL21799478 0.76 SLC6A3 (0.52) TAAR1SLC6A3SLC6A4SLC6A2HTR2A

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