SCHEMBL28197969

SCHEMBL28197969

NC(=O)c1ccccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 2/20 0.41
EPHX1 P07099 1/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
P2RX7 Q99572 4/20 0.41
CNR2 P34972 2/20 0.40
FAAH O00519 2/20 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
SCHEMBL4934551 0.92 ALDH1A1 (0.42) LMNAALDH1A1KDM4EMAPTHPGD
SCHEMBL5475249 0.84 KDM4E (0.53) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL28477742 0.81 KDM4E (0.43) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL27966846 0.81 ALDH1A1 (0.52) LMNAALDH1A1HTTKMT2AMEN1
SCHEMBL11233815 0.81 METAP2 (0.39) LMNAALDH1A1KDM4EMAPTHPGD
SCHEMBL27944464 0.80 P2RX7 (0.42) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL11119681 0.80 METAP2 (0.38) LMNAALDH1A1KDM4EMAPTHPGD
SCHEMBL3823755 0.80 KDM4E (0.43) LMNAALDH1A1KDM4EMAPTHPGD
SCHEMBL31373806 0.77 LMNA (0.45) LMNAALDH1A1KDM4EMAPTHPGD
SCHEMBL31490948 0.77 ALDH1A1 (0.48) LMNAALDH1A1KDM4EMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025024882-A1 FLUORINATED ADAMANTYL P2X7 RECEPTOR ANTAGONISTS AND USES THEREOF THE UNIVERSITY OF SYDNEY (AU) 2025-02-06 WO disclosed
WO-2025024881-A1 ADAMANTYL P2X7 RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT OF CARDIOVASCULAR DISEASES THE UNIVERSITY OF SYDNEY (AU) 2025-02-06 WO disclosed
WO-2023092175-A1 NOVEL P2X7 RECEPTOR ANTAGONISTS THE UNIVERSITY OF SYDNEY (AU) 2023-06-01 WO disclosed
CN-107667088-A NOVEL BENZOIC ACID AMIDE COMPOUND 株式会社爱茉莉太平洋 2018-02-06 CN disclosed