SCHEMBL30966010

SCHEMBL30966010

O=C1CCOc2cc(N3CCC(F)(F)C3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.47
MAOA P21397 1/20 0.47
GRM5 P41594 6/20 0.41
QPCT Q16769 4/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC4 P56524 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37

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
SCHEMBL30966009 0.89 MAOB (0.51) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL12316575 0.81 MAOB (0.57) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL30965985 0.76 MAOA (0.44) MAOBMAOAGRM5NPSR1HDAC4
SCHEMBL31285141 0.76 PRMT5 (0.54) MAOBMAOAGRM5ALDH1A1HPGD
SCHEMBL5232599 0.75 MAOB (0.48) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL30965997 0.74 MEN1 (0.41) MAOBMAOAQPCTALDH1A1NPSR1
SCHEMBL30966005 0.69 QPCT (0.38) QPCTNPC1RAB9AHDAC4
SCHEMBL86965 0.68 MAOB (0.64) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL569174 0.68 MAOB (0.64) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL29758920 0.68 MAOB (0.64) MAOBMAOAGRM5NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4658638-A1 SMALL MOLECULES FOR THE TREATMENT OF MYCOBACTERIAL DISEASES Council of Scientific and Industrial Research, an Indian Registered Body Incorporated under Regn. of Soc. Act (Act XXI of 1860) (IN) 2025-12-10 EP claimed
WO-2024161423-A1 SMALL MOLECULES FOR THE TREATMENT OF MYCOBACTERIAL DISEASES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGN. OF SOC. ACT (ACT XXI OF 1860) (IN) 2024-08-08 WO claimed
EP-4658638-A1 SMALL MOLECULES FOR THE TREATMENT OF MYCOBACTERIAL DISEASES Council of Scientific and Industrial Research, an Indian Registered Body Incorporated under Regn. of Soc. Act (Act XXI of 1860) (IN) 2025-12-10 EP disclosed
WO-2024161423-A1 SMALL MOLECULES FOR THE TREATMENT OF MYCOBACTERIAL DISEASES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGN. OF SOC. ACT (ACT XXI OF 1860) (IN) 2024-08-08 WO disclosed