SCHEMBL21799744

SCHEMBL21799744

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.47
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTR2A P28223 2/20 0.42
ADRA2B P18089 2/20 0.40
ADRA1A P35348 2/20 0.40
HRH1 P35367 2/20 0.40
OPRK1 P41145 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KCNH2 Q12809 2/20 0.40
CACNA1C Q13936 2/20 0.40
SCN5A Q14524 2/20 0.40

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
SCHEMBL21799559 0.84 TAAR1 (0.48) TAAR1ALDH1A1LMNASIGMAR1TSHR
SCHEMBL23260715 0.81 TAAR1 (0.54) TAAR1SIGMAR1MAPK1HTR2AHRH1
SCHEMBL25589886 0.81 TAAR1 (0.54) TAAR1SIGMAR1MAPK1HTR2AHRH1
SCHEMBL11626612 0.81 TAAR1 (0.54) TAAR1SIGMAR1MAPK1HTR2AHRH1
SCHEMBL21799759 0.81 TAAR1 (0.46) TAAR1SIGMAR1HTR2AHRH1AOC3
SCHEMBL13995245 0.79 TRPA1 (0.49) ALDH1A1LMNASIGMAR1CYP3A4ALOX15
SCHEMBL21799666 0.79 TAAR1 (0.48) TAAR1SIGMAR1HTR2AADRA2BADRA1A
SCHEMBL21799636 0.78 POLB (0.43) TAAR1ALDH1A1SIGMAR1HTR2AHRH1
SCHEMBL20754719 0.78 TAAR1 (0.50) TAAR1SIGMAR1CYP3A4TSHRMAPK1
SCHEMBL21799597 0.78 TAAR1 (0.52) TAAR1SIGMAR1HTR2AADRA1AHRH1

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 4 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