SCHEMBL23507367

SCHEMBL23507367

CNC1CCN(Cc2ccccn2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.55
LMNA P02545 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
SIGMAR1 Q99720 2/20 0.51
DRD4 P21917 1/20 0.50
KAT2B Q92831 1/20 0.50
KDM4E B2RXH2 2/20 0.49
CYP2C19 P33261 2/20 0.49
POLB P06746 2/20 0.49
CYP2D6 P10635 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
CYP1A2 P05177 1/20 0.48
KMT2A Q03164 1/20 0.48
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
OPRM1 P35372 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
TRPV6 Q9H1D0 1/20 0.46

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
SCHEMBL4621335 0.91 CXCR3 (0.60) CXCR3LMNAL3MBTL1SIGMAR1DRD4
Hydrochloric Acid SCHEMBL4891466 0.90 L3MBTL1 (0.60) CXCR3LMNAL3MBTL1SIGMAR1DRD4
SCHEMBL14197754 0.81 LMNA (0.60) CXCR3LMNAL3MBTL1SIGMAR1KDM4E
SCHEMBL938062 0.79 L3MBTL1 (0.57) LMNAL3MBTL1SIGMAR1DRD4KDM4E
SCHEMBL31653494 0.79 L3MBTL1 (0.57) LMNAL3MBTL1SIGMAR1DRD4KDM4E
SCHEMBL6397656 0.78 L3MBTL1 (0.56) LMNAL3MBTL1SIGMAR1DRD4KDM4E
SCHEMBL2033541 0.78 L3MBTL1 (0.56) LMNAL3MBTL1SIGMAR1DRD4KDM4E
SCHEMBL6399073 0.78 L3MBTL1 (0.56) LMNAL3MBTL1SIGMAR1DRD4KDM4E
SCHEMBL6397064 0.78 L3MBTL1 (0.59) LMNAL3MBTL1SIGMAR1DRD4KDM4E
SCHEMBL2032759 0.77 CHRM2 (0.51) LMNAL3MBTL1SIGMAR1DRD4KDM4E

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-3193604-B1 SUBSTITUTED N-(PYRROLIDIN-3-YL)ISOXAZOLE-3-CARBOXAMIDE COMPOUNDS EPIZYME INC (US) 2021-06-16 EP disclosed