SCHEMBL21799467

SCHEMBL21799467

CC(C)C(C)CNCc1ccc(CN)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 4/20 0.51
ERAP2 Q6P179 4/20 0.51
BACE1 P56817 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
TPSAB1 Q15661 5/20 0.40
LOXL2 Q9Y4K0 3/20 0.39
HRH3 Q9Y5N1 1/20 0.38
LMNA P02545 1/20 0.37
PLG P00747 1/20 0.37
PRSS1 P07477 1/20 0.37
BCHE P06276 1/20 0.36
ABAT P80404 1/20 0.35

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
SCHEMBL21799982 0.86 BCHE (0.40) ANPEPERAP2BACE1ALDH1A1LOXL2
SCHEMBL18232432 0.84 ANPEP (0.54) ANPEPERAP2BACE1ALDH1A1CYP1A2
SCHEMBL172626 0.82 CHRM2 (0.50) ALDH1A1CYP1A2CYP2D6LMNA
SCHEMBL13995742 0.81 L3MBTL1 (0.53) ALDH1A1CYP1A2CYP2D6LMNABCHE
SCHEMBL13995701 0.81 LMNA (0.60) ALDH1A1CYP2D6LMNA
SCHEMBL13995698 0.81 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2D6
SCHEMBL13995906 0.80 MEN1 (0.52) ANPEPALDH1A1CYP1A2CYP2D6LMNA
SCHEMBL13995600 0.80 MEN1 (0.52) ANPEPALDH1A1CYP1A2CYP2D6LMNA
SCHEMBL21799751 0.79 ANPEP (0.50) ANPEPERAP2BACE1ALDH1A1CYP1A2
SCHEMBL13995738 0.78 SLC6A4 (0.47) CYP1A2

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