SCHEMBL29700417

SCHEMBL29700417

O=C1CCC(CC(=O)NC2CC3(C2)CC(c2nc4cc(Cl)ccc4s2)C3)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ LMNA P02545 2/20 0.38
▸ POLB P06746 4/20 0.35
▸ FASN P49327 1/20 0.35
▸ IDH1 O75874 1/20 0.34
▸ MAPT P10636 4/20 0.34
▸ HTT P42858 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33

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
SCHEMBL26185573 1.00 NPC1 (0.43) NPC1RAB9ALMNAPOLBFASN
SCHEMBL26567801 0.90 FASN (0.37) LMNAFASNIDH1MAPTHTT
SCHEMBL24478917 0.89 NPC1 (0.48) NPC1RAB9ALMNAPOLBFASN
SCHEMBL26225682 0.81 FASN (0.41) POLBFASNIDH1KMT2APDCD1
SCHEMBL29700405 0.80 NPC1 (0.41) NPC1RAB9ALMNAPOLBMAPT
SCHEMBL26185598 0.80 NPC1 (0.41) NPC1RAB9ALMNAPOLBMAPT
SCHEMBL29700429 0.80 NPC1 (0.41) NPC1RAB9ALMNAPOLBMAPT
SCHEMBL26185570 0.80 NPC1 (0.41) NPC1RAB9ALMNAPOLBMAPT
SCHEMBL29700392 0.78 NPC1 (0.40) NPC1RAB9ALMNAPOLBMAPT
SCHEMBL26185597 0.78 NPC1 (0.40) NPC1RAB9ALMNAPOLBMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4251615-B1 SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2025-10-15 — — EP claimed
EP-4251615-A1 SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2023-10-04 — — EP claimed
WO-2022112188-A1 SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-06-02 — — WO claimed
EP-4251615-A1 SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2023-10-04 — — EP disclosed
WO-2022112188-A1 SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-06-02 — — WO disclosed
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