SCHEMBL21799759

SCHEMBL21799759

CCCC(C)NC(CN)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.46
GPR88 Q9GZN0 3/20 0.44
AOC3 Q16853 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
HTR2A P28223 3/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HRH1 P35367 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
SCHEMBL21799636 0.90 POLB (0.43) TAAR1GPR88AOC3HTR2APOLB
SCHEMBL21799559 0.86 TAAR1 (0.48) TAAR1GPR88AOC3HTR2ASIGMAR1
SCHEMBL21800023 0.81 AOC3 (0.42) TAAR1GPR88AOC3HTR2APOLB
SCHEMBL21799744 0.81 TAAR1 (0.47) TAAR1AOC3HTR2ASIGMAR1HRH1
SCHEMBL23260715 0.80 TAAR1 (0.54) TAAR1GPR88AOC3HTR2ASIGMAR1
SCHEMBL25589886 0.80 TAAR1 (0.54) TAAR1GPR88AOC3HTR2ASIGMAR1
SCHEMBL11626612 0.80 TAAR1 (0.54) TAAR1GPR88AOC3HTR2ASIGMAR1
SCHEMBL19954192 0.78 SIGMAR1 (0.61) AOC3SMN1; SMN2POLBNPC1RAB9A
SCHEMBL19563117 0.78 SIGMAR1 (0.61) AOC3SMN1; SMN2POLBNPC1RAB9A
SCHEMBL21799666 0.77 TAAR1 (0.48) TAAR1AOC3HTR2ASIGMAR1HRH1

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