SCHEMBL29700429

SCHEMBL29700429

O=C(CC1CCCS1(=O)=O)NC1CC2(C1)CC(c1nc3cc(Cl)ccc3s1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ LMNA P02545 2/20 0.39
▸ CNR2 P34972 2/20 0.37
▸ POLB P06746 3/20 0.36
▸ MAPT P10636 4/20 0.34
▸ HCRTR1 O43613 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CXCR6 O00574 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 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
SCHEMBL26185570 1.00 NPC1 (0.41) NPC1RAB9ALMNACNR2POLB
SCHEMBL26567777 0.90 DYRK1A (0.35) LMNAMAPTTP53ALDH1A1SMN1; SMN2
SCHEMBL24479060 0.89 NPC1 (0.47) NPC1RAB9ALMNACNR2POLB
SCHEMBL26185597 0.89 NPC1 (0.40) NPC1RAB9ALMNACNR2POLB
SCHEMBL29700392 0.89 NPC1 (0.40) NPC1RAB9ALMNACNR2POLB
SCHEMBL26185563 0.88 NPC1 (0.43) NPC1RAB9ALMNACNR2POLB
SCHEMBL29700405 0.85 NPC1 (0.41) NPC1RAB9ALMNACNR2POLB
SCHEMBL26185598 0.85 NPC1 (0.41) NPC1RAB9ALMNACNR2POLB
SCHEMBL26225700 0.81 PTGES (0.39) NPC1RAB9APOLBMAPTALDH1A1
SCHEMBL29700393 0.80 CNR2 (0.39) NPC1RAB9ALMNACNR2POLB

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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