SCHEMBL31661966

SCHEMBL31661966

Cn1ncc2cc(C(N)=O)c(Oc3ccc(OCCC(=O)N4CCC(O)CC4)cc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 2/20 0.37
CYP2D6 P10635 2/20 0.37
KDM1A O60341 1/20 0.36
NTRK1 P04629 2/20 0.36
KCNH2 Q12809 2/20 0.36
NTRK2 Q16620 2/20 0.36
SCN9A Q15858 1/20 0.36
NTRK3 Q16288 1/20 0.36
MCHR2 Q969V1 1/20 0.36
MCHR1 Q99705 1/20 0.36
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 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
SCHEMBL31662211 0.91 NTRK1 (0.40) HPGDSMN1; SMN2CYP2D6NTRK1KCNH2
SCHEMBL31661959 0.89 GAA (0.52) HPGDSMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL31661856 0.85 GAA (0.35) HPGDSMN1; SMN2KMT2AGAASCN9A
SCHEMBL31662291 0.84 NTRK1 (0.38) SMN1; SMN2ALDH1A1KDM1ANTRK1KCNH2
SCHEMBL31662493 0.83 L3MBTL1 (0.41) SCN9A
SCHEMBL31661890 0.82 NTRK1 (0.37) KMT2AKDM1ANTRK1KCNH2NTRK2
SCHEMBL31662208 0.82 HPGD (0.42) HPGDSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL31661986 0.82 CHEK2 (0.40) SMN1; SMN2ALDH1A1NTRK1KCNH2NTRK2
SCHEMBL31662113 0.82 SCN9A (0.39) SCN9A
SCHEMBL31662453 0.81 MKNK1 (0.39) SCN9A

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-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO claimed
WO-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO disclosed