SCHEMBL21799564

SCHEMBL21799564

CCC(CC)NC(CN)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.45
HTR2A P28223 2/20 0.45
LMNA P02545 3/20 0.42
POLB P06746 1/20 0.42
GPR88 Q9GZN0 1/20 0.40
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HRH1 P35367 1/20 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
SCHEMBL21800023 0.90 AOC3 (0.42) TAAR1HTR2ALMNAPOLBGPR88
SCHEMBL21799559 0.83 TAAR1 (0.48) TAAR1HTR2ALMNAGPR88CHRNB2
SCHEMBL21799513 0.80 TAAR1 (0.47) TAAR1HTR2ALMNAGPR88KDM4E
SCHEMBL21799497 0.80 TAAR1 (0.46) TAAR1HTR2ALMNAGPR88KDM4E
SCHEMBL23260715 0.80 TAAR1 (0.54) TAAR1HTR2AGPR88CHRNB2CHRNA4
SCHEMBL25589886 0.80 TAAR1 (0.54) TAAR1HTR2AGPR88CHRNB2CHRNA4
SCHEMBL11626612 0.80 TAAR1 (0.54) TAAR1HTR2AGPR88CHRNB2CHRNA4
SCHEMBL20754719 0.77 TAAR1 (0.50) TAAR1HTR2AGPR88CHRNB2CHRNA4
SCHEMBL21799597 0.77 TAAR1 (0.52) TAAR1HTR2AGPR88CHRNB2CHRNA4
SCHEMBL2847032 0.77 LMNA (0.52) HTR2ALMNAPOLBKDM4EALDH1A1

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