SCHEMBL30948840

SCHEMBL30948840

CC(C)(C(N)=O)C1CCNC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
CYP2D6 P10635 1/20 0.38
SLC6A1 P30531 4/20 0.34
SLC6A11 P48066 3/20 0.34
SLC6A13 Q9NSD5 3/20 0.34
GABRA5 P31644 3/20 0.34
GABRB2 P47870 3/20 0.34
SLC6A12 P48065 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRR1 P24046 1/20 0.34
SSTR4 P31391 2/20 0.33
ARG1 P05089 1/20 0.32
ARG2 P78540 1/20 0.32
TSHR P16473 2/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
Hydrochloric Acid SCHEMBL17560334 0.98 KDM4E (0.37) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL8283629 0.89 KDM4E (0.48) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL8469891 0.89 KDM4E (0.48) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL2398071 0.88 GABRA5 (0.38) KDM4EMAPTKMT2AATMCYP2D6
Hydrochloric Acid SCHEMBL6491730 0.86 GABRA5 (0.37) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL16849096 0.82 SLC6A1 (0.39) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL29508661 0.82 SLC6A1 (0.39) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL16849196 0.82 SLC6A1 (0.35) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL27943722 0.79 KDM4E (0.41) KDM4EMAPTKMT2AATMCYP2D6
Hydrochloric Acid SCHEMBL27965827 0.78 KDM4E (0.39) KDM4EMAPTKMT2AATMCYP2D6

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