SCHEMBL29700393

SCHEMBL29700393

O=C(CN1CCCCS1(=O)=O)NC1CC2(C1)CC(c1nc3cc(Cl)ccc3s1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ LMNA P02545 3/20 0.36
▸ POLB P06746 2/20 0.35
▸ MAPT P10636 4/20 0.34
▸ HTT P42858 2/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CCR3 P51677 2/20 0.33
▸ CCR1 P32246 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ CXCR6 O00574 1/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL26567033 1.00 CNR2 (0.39) CNR2NPC1RAB9ALMNAPOLB
SCHEMBL26567817 0.90 UBE2M (0.34) LMNAMAPTTP53GAASMN1; SMN2
SCHEMBL24478918 0.89 NPC1 (0.44) CNR2NPC1RAB9ALMNAPOLB
SCHEMBL26225720 0.82 PTGES (0.40) NPC1RAB9ATP53KMT2ATMEM97
SCHEMBL29700429 0.80 NPC1 (0.41) CNR2NPC1RAB9ALMNAPOLB
SCHEMBL26185570 0.80 NPC1 (0.41) CNR2NPC1RAB9ALMNAPOLB
SCHEMBL29700405 0.79 NPC1 (0.41) CNR2NPC1RAB9ALMNAPOLB
SCHEMBL26185598 0.79 NPC1 (0.41) CNR2NPC1RAB9ALMNAPOLB
SCHEMBL29700392 0.78 NPC1 (0.40) CNR2NPC1RAB9ALMNAPOLB
SCHEMBL26185597 0.78 NPC1 (0.40) CNR2NPC1RAB9ALMNAPOLB

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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