SCHEMBL29806240

SCHEMBL29806240

COc1ccc2c(c1)C1(CCC(Nc3cccc(Cl)c3)(C(N)=O)CC1)C(Br)=C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
GFER P55789 1/20 0.40
FADS1 O60427 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
GRIN2B Q13224 1/20 0.37
CLK1 P49759 2/20 0.36
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
MAOB P27338 2/20 0.35
CLK2 P49760 1/20 0.35
ATM Q13315 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL29806907 0.94 NPC1 (0.41) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL29806536 0.92 NPC1 (0.41) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL29806897 0.92 NPC1 (0.44) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL29806350 0.86 LRRK2 (0.40) NPC1RAB9AMAOB
SCHEMBL29807002 0.85 MAOA (0.38) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL29806626 0.85 NPC1 (0.44) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL29807324 0.81 GAA (0.41) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL29806675 0.80 RAB9A (0.37) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL29807505 0.80 MEN1 (0.39) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL29806362 0.80 MAOA (0.37) NPC1RAB9AMEN1KMT2ASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4551566-A1 NEW SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS Les Laboratoires Servier (FR) 2025-05-14 EP disclosed
CN-119816491-A New spirocyclohexane derivatives, pharmaceutical compositions containing them and their use as anti-apoptotic inhibitors 法国施维雅药厂 2025-04-11 CN disclosed
WO-2024008941-A1 NEW SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS LES LABORATOIRES SERVIER (FR) 2024-01-11 WO disclosed
EP-4277892-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS Les Laboratoires Servier (FR) 2023-11-22 EP disclosed
CN-116940552-A Spirocyclic hexane derivatives, pharmaceutical compositions containing them and their use as anti-apoptotic inhibitors 法国施维雅药厂 2023-10-24 CN disclosed
WO-2022152705-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS LES LABORATOIRES SERVIER (FR) 2022-07-21 WO disclosed