SCHEMBL30701918

SCHEMBL30701918

O=C(OCc1ccccc1)N1CCC(n2cc(-c3cncc(OCc4ccccc4Cl)c3)cn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 1/20 0.56
MAP4K3 Q8IVH8 3/20 0.48
MET P08581 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
FAAH O00519 1/20 0.44
CYP2C19 P33261 1/20 0.43
PAK1 Q13153 3/20 0.42
GRIN2B Q13224 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
AXL P30530 1/20 0.41
MERTK Q12866 1/20 0.41
KDM1A O60341 1/20 0.41
PAK4 O96013 1/20 0.40

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
SCHEMBL30701933 0.90 INPPL1 (0.57) INPPL1MAP4K3METFAAHPAK1
SCHEMBL30701916 0.88 INPPL1 (0.57) INPPL1MAP4K3METNPC1RAB9A
SCHEMBL30701915 0.88 INPPL1 (0.57) INPPL1MAP4K3METFAAH
SCHEMBL30701925 0.81 INPPL1 (0.82) INPPL1MAP4K3METPAK1PAK4
SCHEMBL30701923 0.80 MET (0.54) INPPL1MAP4K3MET
Hydrochloric Acid SCHEMBL30701912 0.80 INPPL1 (0.81) INPPL1MAP4K3METPAK1PAK4
SCHEMBL30701935 0.80 INPPL1 (0.69) INPPL1MET
SCHEMBL30701908 0.79 MET (0.54) INPPL1MAP4K3MET
SCHEMBL30701917 0.78 INPPL1 (0.59) INPPL1MAP4K3METPAK1PAK4
SCHEMBL30701926 0.77 INPPL1 (0.52) INPPL1MAP4K3METSMN1; SMN2

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-4554936-A1 CRIZOTINIB ANALOGUES AS SHIP1 INHIBITORS USEFUL TO TREAT ALZHEINER'S DISEASES The Trustees of Indiana University (US) 2025-05-21 EP disclosed
WO-2024015759-A1 CRIZOTINIB ANALOGUES AS SHIP1 INHIBITORS USEFUL TO TREAT ALZHEINER'S DISEASES THE TRUSTEES OF INDIANA UNIVERSITY (US) 2024-01-18 WO disclosed