SCHEMBL30948823

SCHEMBL30948823

C=C(C)C(=O)N(CC)[C@H]1CCNC1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 20/20 0.50
SLC6A4 P31645 20/20 0.50
SLC6A3 Q01959 12/20 0.50
KCNH2 Q12809 3/20 0.47
CYP2D6 P10635 1/20 0.38

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
SCHEMBL14224174 0.83 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL1877085 0.83 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL1060281 0.83 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL15667928 0.81 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL1840824 0.81 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL27957684 0.78 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL12198758 0.78 L3MBTL1 (0.43) SLC6A2SLC6A4
SCHEMBL10777585 0.76 L3MBTL1 (0.45) SLC6A2SLC6A4
SCHEMBL14224188 0.75 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3805861 0.75 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6

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
EP-4598535-A2 INHIBITORS OF SPNS2 AND USES THEREOF New York University (US) 2025-08-13 EP disclosed
WO-2024076610-A2 INHIBITORS OF SPNS2 AND USES THEREOF NEW YORK UNIVERSITY (US) 2024-04-11 WO disclosed