SCHEMBL30604359

SCHEMBL30604359

N=C(N)C1(c2cccc3ccccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 9/20 0.47
SLC6A4 P31645 7/20 0.47
SLC6A2 P23975 6/20 0.47
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
KEAP1 Q14145 1/20 0.38
HTT P42858 1/20 0.38
KIF11 P52732 1/20 0.35
CYP2A6 P11509 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL23972286 1.00 SLC6A3 (0.47) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL697151 0.78 AKR1C1 (0.48) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL30344677 0.76 SLC6A3 (0.42) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL8747018 0.76 SLC6A3 (0.42) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL31459298 0.76 HDAC4 (0.49) TSHRCYP3A4KIF11TDP1
SCHEMBL8112531 0.73 AKR1C1 (0.52) SLC6A3SLC6A4SLC6A2KIF11TDP1
SCHEMBL29876796 0.72 SLC6A3 (0.53) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL28485903 0.72 SLC6A3 (0.49) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL25155197 0.72 SLC6A3 (0.53) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL8106448 0.71 SLC6A3 (0.45) SLC6A3SLC6A4SLC6A2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4142874-B1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC (JP) 2026-04-22 EP disclosed