SCHEMBL31662211

SCHEMBL31662211

Cn1ncc2cc(C(N)=O)c(Oc3ccc(OCCC(=O)N4CCC(O)CC4)cc3F)cc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.40
KCNH2 Q12809 2/20 0.37
NTRK2 Q16620 2/20 0.37
NTRK3 Q16288 1/20 0.37
GRIN2B Q13224 1/20 0.35
CYP2D6 P10635 2/20 0.34
DRD4 P21917 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
GPR119 Q8TDV5 2/20 0.34
PIK3CD O00329 1/20 0.34
CSF1R P07333 1/20 0.34
PARP10 Q53GL7 2/20 0.34
PARP15 Q460N3 1/20 0.34
PDK2 Q15119 1/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL31662208 0.92 HPGD (0.42) NTRK1KCNH2NTRK2DRD4SIGMAR1
SCHEMBL31661937 0.91 PDE3B (0.39) NTRK1KCNH2CYP2D6DRD4SIGMAR1
SCHEMBL31661966 0.91 HPGD (0.39) NTRK1KCNH2NTRK2NTRK3CYP2D6
SCHEMBL31662140 0.89 GAA (0.46) NTRK1DRD4SIGMAR1HPGDSMN1; SMN2
SCHEMBL31662130 0.89 PARP1 (0.40) NTRK1KCNH2NTRK2CYP2D6HPGD
SCHEMBL31662714 0.87 PDE3B (0.42) GPR119
SCHEMBL31662441 0.85 SCN9A (0.37) NTRK1PARP10
SCHEMBL31662120 0.85 SCN9A (0.36) NTRK1CYP2D6PIK3CDEGFRERBB2
SCHEMBL31662026 0.84 SCN7A (0.37) NTRK1KCNH2
SCHEMBL31662000 0.83 DRD4 (0.34) NTRK1DRD4SIGMAR1PARP10PARP15

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