SCHEMBL24527009

SCHEMBL24527009

COC(=O)c1cc(F)cc(C2CCCN2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
PARP1 P09874 3/20 0.39
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
HCRTR2 O43614 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL18878233 0.82 PARP1 (0.48) PARP1
SCHEMBL10311104 0.80 PRMT5 (0.45) MEN1KMT2AKDM4EALDH1A1
SCHEMBL839470 0.80 PRMT5 (0.45) MEN1KMT2AKDM4EALDH1A1
SCHEMBL13741356 0.79 ALDH1A1 (0.48) HSD17B10MEN1KMT2AKDM4ECA12
Hydrochloric Acid SCHEMBL10277298 0.78 PRMT5 (0.45) MEN1KMT2AKDM4EALDH1A1
SCHEMBL29486090 0.78 HSD17B10 (0.44) HSD17B10MEN1KMT2ALMNAKDM4E
SCHEMBL24851934 0.78 HSD17B10 (0.44) HSD17B10MEN1KMT2ALMNAKDM4E
SCHEMBL3622823 0.78 TLR9 (0.43) KCNH2HSD17B10MEN1KMT2ALMNA
SCHEMBL18863625 0.77 MEN1 (0.36) PARP1HSD17B10MEN1KMT2ALMNA
SCHEMBL13406258 0.77 ALDH1A1 (0.43) HSD17B10MEN1KMT2ALMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022129047-A2 NOVEL MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2022-06-23 WO disclosed
WO-2022129047-A2 NOVEL MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2022-06-23 WO disclosed