SCHEMBL21799745

SCHEMBL21799745

CCCNCc1ccccc1CN

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CA12 O43570 5/20 0.44
CA2 P00918 5/20 0.44
CHRM2 P08172 7/20 0.43
CA9 Q16790 4/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MPO P05164 1/20 0.40
GRIN1 Q05586 3/20 0.40
GRIN2A Q12879 3/20 0.40
BCHE P06276 2/20 0.40
ACHE P22303 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
SCHEMBL21799866 0.89 CHRM2 (0.49) CA12CA2CHRM2CA9KDM4E
SCHEMBL21799769 0.87 CHRM2 (0.51) CA12CA2CHRM2CA9TSHR
SCHEMBL21799778 0.85 CHRM2 (0.54) CA12CA2CHRM2CA9TSHR
SCHEMBL21799998 0.85 CHRM2 (0.54) CA12CA2CHRM2CA9TSHR
SCHEMBL21800013 0.85 CHRM2 (0.54) CA12CA2CHRM2CA9TSHR
SCHEMBL21799871 0.85 CHRM2 (0.54) CA12CA2CHRM2CA9TSHR
SCHEMBL21799544 0.85 CHRM2 (0.54) CA12CA2CHRM2CA9TSHR
SCHEMBL21799649 0.85 CHRM2 (0.54) CA12CA2CHRM2CA9TSHR
SCHEMBL21800022 0.85 CHRM2 (0.54) CA12CA2CHRM2CA9TSHR
Hydrochloric Acid SCHEMBL31325230 0.84 CHRM2 (0.53) CA12CA2CHRM2CA9GRIN1

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