SCHEMBL21799478

SCHEMBL21799478

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.52
HRH1 P35367 2/20 0.52
CACNA1F O60840 1/20 0.52
CHRM2 P08172 1/20 0.52
CHRM1 P11229 1/20 0.52
ADRA2B P18089 1/20 0.52
CHRM3 P20309 1/20 0.52
ADRA1A P35348 1/20 0.52
OPRK1 P41145 1/20 0.52
CACNA1D Q01668 1/20 0.52
KCNH2 Q12809 1/20 0.52
CACNA1S Q13698 1/20 0.52
CACNA1C Q13936 1/20 0.52
SCN5A Q14524 1/20 0.52
SLC6A4 P31645 2/20 0.47
TAAR1 Q96RJ0 4/20 0.47
HTR2A P28223 2/20 0.46
SLC6A2 P23975 1/20 0.44
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 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
SCHEMBL21799602 0.83 RIPK1 (0.43) SLC6A3HRH1CACNA1FCHRM2CHRM1
SCHEMBL21799515 0.83 RIPK1 (0.43) SLC6A3HRH1CACNA1FCHRM2CHRM1
SCHEMBL21799755 0.83 TAAR1 (0.47) SLC6A3HRH1CACNA1FCHRM2CHRM1
SCHEMBL13900807 0.82 CACNA1F (0.53) SLC6A3HRH1CACNA1FCHRM2CHRM1
SCHEMBL12201552 0.82 CACNA1F (0.53) SLC6A3HRH1CACNA1FCHRM2CHRM1
SCHEMBL13950534 0.82 CACNA1F (0.53) SLC6A3HRH1CACNA1FCHRM2CHRM1
SCHEMBL21799494 0.80 TAAR1 (0.40) SLC6A3HRH1CACNA1FCHRM2CHRM1
SCHEMBL7751173 0.80 RIPK1 (0.54) SLC6A3HRH1CACNA1FCHRM2CHRM1
SCHEMBL10245333 0.80 RIPK1 (0.54) SLC6A3HRH1CACNA1FCHRM2CHRM1
SCHEMBL10245495 0.80 RIPK1 (0.54) SLC6A3HRH1CACNA1FCHRM2CHRM1

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