SCHEMBL21799751

SCHEMBL21799751

CCC(C)CNCc1ccc(CN)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 4/20 0.50
ERAP2 Q6P179 4/20 0.50
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
LMNA P02545 1/20 0.40
TPSAB1 Q15661 5/20 0.39
LOXL2 Q9Y4K0 2/20 0.38
BACE1 P56817 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
PLG P00747 1/20 0.36
PRSS1 P07477 1/20 0.36
PSIP1 O75475 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
BCHE P06276 1/20 0.35
ABAT P80404 1/20 0.34

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
SCHEMBL21799963 0.86 ADRB2 (0.40) ANPEPERAP2ALDH1A1LMNALOXL2
SCHEMBL21799976 0.86 ANPEP (0.47) ANPEPERAP2ALDH1A1CYP1A2CYP2D6
SCHEMBL21799537 0.83 ANPEP (0.51) ANPEPERAP2ALDH1A1CYP1A2CYP2D6
SCHEMBL18232432 0.82 ANPEP (0.54) ANPEPERAP2ALDH1A1CYP1A2CYP2D6
SCHEMBL21800058 0.82 ANPEP (0.41) ANPEPERAP2CYP1A2CYP2D6LMNA
SCHEMBL172622 0.81 LMNA (0.63) ALDH1A1CYP2D6LMNAL3MBTL1
SCHEMBL24762812 0.81 MEN1 (0.50) ANPEPALDH1A1CYP1A2CYP2D6BCHE
SCHEMBL12923898 0.81 MEN1 (0.50) ANPEPALDH1A1CYP1A2CYP2D6BCHE
SCHEMBL21799467 0.79 ANPEP (0.51) ANPEPERAP2ALDH1A1CYP1A2CYP2D6
SCHEMBL172355 0.79 SLC6A4 (0.49) 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