SCHEMBL21799685

SCHEMBL21799685

CC(C)(C)CNC(CN)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.44
HTR2A P28223 1/20 0.43
SLC6A3 Q01959 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
BCHE P06276 1/20 0.41
RIPK1 Q13546 3/20 0.39
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
HRH1 P35367 2/20 0.37
CACNA1F O60840 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
ADRA2B P18089 1/20 0.37
CHRM3 P20309 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRK1 P41145 1/20 0.37
CACNA1D Q01668 1/20 0.37
KCNH2 Q12809 1/20 0.37
CACNA1S Q13698 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
SCHEMBL21799454 0.84 RIPK1 (0.41) TAAR1HTR2ASLC6A3SLC6A2SLC6A4
SCHEMBL13900496 0.83 RIPK1 (0.41) HTR2ASLC6A3BCHERIPK1HRH1
SCHEMBL21799451 0.82 RIPK1 (0.44) TAAR1HTR2ASLC6A3SLC6A2SLC6A4
SCHEMBL11622496 0.79 TAAR1 (0.48) TAAR1HTR2ACHRNB2CHRNA4HRH1
SCHEMBL23841162 0.77 TAAR1 (0.44) TAAR1HTR2ASLC6A3SLC6A2SLC6A4
SCHEMBL21799478 0.77 SLC6A3 (0.52) TAAR1HTR2ASLC6A3SLC6A2SLC6A4
SCHEMBL16978944 0.76 RIPK1 (0.44) TAAR1HTR2ASLC6A3SLC6A2SLC6A4
SCHEMBL21799747 0.76 SIGMAR1 (0.46) TAAR1HTR2ASLC6A3SLC6A2SLC6A4
SCHEMBL21799526 0.76 TAAR1 (0.50) TAAR1HTR2ASLC6A3SLC6A2SLC6A4
SCHEMBL12935937 0.75 CYP3A4 (0.55) SLC6A3SLC6A2SLC6A4BCHERIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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