SCHEMBL21799554

SCHEMBL21799554

CC(C)(C)CCNCc1ccccc1CN

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 10/20 0.40
▸ CA12 O43570 5/20 0.40
▸ CA2 P00918 5/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ CA9 Q16790 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MPO P05164 1/20 0.37
▸ GRIN1 Q05586 3/20 0.37
▸ GRIN2A Q12879 3/20 0.37
▸ BCHE P06276 2/20 0.37
▸ ACHE P22303 2/20 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
SCHEMBL21799811 0.81 PNMT (0.38) CHRM2CA12CA2SLC6A2SLC6A4
SCHEMBL13966240 0.80 CHRM2 (0.62) CHRM2CA12CA2
SCHEMBL21799745 0.79 SLC6A4 (0.47) CHRM2CA12CA2SLC6A4SLC6A3
SCHEMBL30192689 0.79 CA12 (0.48) CHRM2CA12CA2SLC6A4CA9
SCHEMBL17282103 0.79 CA12 (0.69) CA12CA2SLC6A4CA9KDM4E
SCHEMBL13965834 0.79 MPO (0.54) CA2SLC6A4MPOACHE
SCHEMBL21799866 0.76 CHRM2 (0.49) CHRM2CA12CA2CA9KDM4E
SCHEMBL13965837 0.76 SCN8A (0.55) CHRM2SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL11598688 0.76 ALDH1A1 (0.51) CHRM2CA12CA2SLC6A4CA9
SCHEMBL5191623 0.76 MC1R (0.54) CHRM2CA12CA2SLC6A4CA9

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
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