SCHEMBL30245484

SCHEMBL30245484

COc1cccc(CN(Cc2cccc(N(C)C)c2)c2cccc(CN3CCNC(=O)C3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
KMT2A Q03164 5/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CLPP Q16740 1/20 0.41
GAA P10253 1/20 0.41
QPCT Q16769 1/20 0.41
CMA1 P23946 1/20 0.40
MEN1 O00255 3/20 0.40
POLB P06746 1/20 0.40
CHRM3 P20309 2/20 0.40
CTSD P07339 1/20 0.39
BACE1 P56817 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
MLNR O43193 1/20 0.39
TACR1 P25103 1/20 0.39

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
SCHEMBL29194556 0.96 SIGMAR1 (0.47) SIGMAR1KMT2AKDM4EALDH1A1CLPP
SCHEMBL30245568 0.96 SIGMAR1 (0.47) SIGMAR1KMT2AKDM4EALDH1A1CLPP
SCHEMBL25424370 0.94 SIGMAR1 (0.42) SIGMAR1KMT2AKDM4EALDH1A1CLPP
SCHEMBL30245427 0.94 SIGMAR1 (0.42) SIGMAR1KMT2AKDM4EALDH1A1CLPP
SCHEMBL30245054 0.90 QPCT (0.41) SIGMAR1KMT2AKDM4EALDH1A1CLPP
SCHEMBL30245347 0.88 MAPT (0.44) SIGMAR1KMT2AKDM4EALDH1A1CLPP
SCHEMBL25300674 0.88 MAPT (0.44) SIGMAR1KMT2AKDM4EALDH1A1CLPP
SCHEMBL30245633 0.88 SIGMAR1 (0.47) SIGMAR1KMT2AKDM4EALDH1A1CLPP
SCHEMBL29194528 0.88 SIGMAR1 (0.47) SIGMAR1KMT2AKDM4EALDH1A1CLPP
SCHEMBL25292171 0.87 CNR1 (0.42) SIGMAR1KMT2AKDM4EALDH1A1CLPP

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4384516-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS Texas Heart Institute (US) 2024-06-19 EP claimed
CN-117916237-A Amino aryl integrin agonist compounds 德克萨斯心脏研究所 2024-04-19 CN claimed
WO-2023018472-A9 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-07-13 WO claimed
WO-2023018472-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-02-16 WO claimed
EP-4384516-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS Texas Heart Institute (US) 2024-06-19 EP disclosed
CN-117916237-A Amino aryl integrin agonist compounds 德克萨斯心脏研究所 2024-04-19 CN disclosed
WO-2023018472-A9 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-07-13 WO disclosed
WO-2023018472-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-02-16 WO disclosed