SCHEMBL31361235

SCHEMBL31361235

Fc1nc(Cl)ccc1C1OCCO1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CHRNB2 P17787 4/20 0.31
CHRNA4 P43681 4/20 0.31
CHRNB4 P30926 3/20 0.31
CHRNA3 P32297 3/20 0.31
CHRNA7 P36544 3/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 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
SCHEMBL15544837 0.82 NPC1 (0.44) NPC1RAB9ACHRNB2CHRNA4CHRNB4
SCHEMBL31153190 0.82 NPC1 (0.44) NPC1RAB9ACHRNB2CHRNA4CHRNB4
SCHEMBL31003182 0.75 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL24417419 0.74 RAB9A (0.35) NPC1RAB9A
SCHEMBL172142 0.74 CYP11B1 (0.35) NPC1RAB9A
SCHEMBL31361163 0.71 CHRNB2 (0.32) CHRNB2CHRNA4
SCHEMBL31361240 0.71 CHRNB2 (0.32) CHRNB2CHRNA4
SCHEMBL31361249 0.71 CHRNB2 (0.32) CHRNB2CHRNA4
SCHEMBL31361213 0.71 CHRNB2 (0.32) CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL31289637 0.70 ALOX5AP (0.37) CHRNB2CHRNA4

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-4746965-A1 BENZIMIDAZOLES AS SIK-ACTIVITY MODULATORS F. Hoffmann-La Roche AG (CH) 2026-05-27 EP disclosed
WO-2025017041-A1 BENZIMIDAZOLES AS SIK-ACTIVITY MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2025-01-23 WO disclosed