SCHEMBL21799494

SCHEMBL21799494

CCCC(C)(C)NC(CN)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.40
HTR2A P28223 2/20 0.39
SLC6A3 Q01959 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
RIPK1 Q13546 3/20 0.38
CACNA1F O60840 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
ADRA2B P18089 1/20 0.38
CHRM3 P20309 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
OPRK1 P41145 1/20 0.38
CACNA1D Q01668 1/20 0.38
KCNH2 Q12809 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
SCN5A Q14524 1/20 0.38
GPR88 Q9GZN0 3/20 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
SCHEMBL21799602 0.86 RIPK1 (0.43) TAAR1HTR2ASLC6A3SLC6A2SLC6A4
SCHEMBL21799478 0.80 SLC6A3 (0.52) TAAR1HTR2ASLC6A3SLC6A2SLC6A4
SCHEMBL21799515 0.79 RIPK1 (0.43) TAAR1HTR2ASLC6A3SLC6A2SLC6A4
SCHEMBL21790483 0.77 OPRK1 (0.44) SLC6A3SLC6A2SLC6A4RIPK1CACNA1F
SCHEMBL21790482 0.77 OPRK1 (0.44) SLC6A3SLC6A2SLC6A4RIPK1CACNA1F
SCHEMBL21799755 0.76 TAAR1 (0.47) TAAR1HTR2ASLC6A3SLC6A2SLC6A4
SCHEMBL21799747 0.72 SIGMAR1 (0.46) TAAR1HTR2ASLC6A3SLC6A2SLC6A4
SCHEMBL21799451 0.71 RIPK1 (0.44) TAAR1HTR2ASLC6A3SLC6A2SLC6A4
SCHEMBL11624965 0.71 HPGD (0.39) TAAR1
SCHEMBL11622496 0.71 TAAR1 (0.48) TAAR1HTR2AHRH1GPR88AOC3

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