SCHEMBL30965985

SCHEMBL30965985

O=C1CCCc2cc(N3CCC(F)(F)C3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 9/20 0.44
MAOB P27338 9/20 0.44
PRKCI P41743 1/20 0.44
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B1 P14061 2/20 0.40
GRM5 P41594 1/20 0.39
CYP2A6 P11509 1/20 0.38
BAZ2B Q9UIF8 1/20 0.38
HDAC4 P56524 1/20 0.36
BACE1 P56817 2/20 0.36
PGR P06401 1/20 0.36
DPP4 P27487 1/20 0.35
CHRM5 P08912 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
SCHEMBL30965997 0.89 MEN1 (0.41) MAOAMAOBPRKCIMEN1MAPK1
SCHEMBL30965981 0.89 MAOA (0.49) MAOAMAOBPRKCIMEN1MAPK1
SCHEMBL30966019 0.81 MAOA (0.56) MAOAMAOBPRKCIMEN1MAPK1
Hydrochloric Acid SCHEMBL11455190 0.79 MAOA (0.54) MAOAMAOBPRKCIMEN1MAPK1
SCHEMBL30966020 0.77 MAOA (0.42) MAOAMAOBPRKCIMEN1MAPK1
SCHEMBL30966010 0.76 MAOB (0.47) MAOAMAOBNPSR1GRM5HDAC4
SCHEMBL1240432 0.74 MAPK14 (0.53) MAOAMAOBPRKCIMEN1MAPK1
Hydrochloric Acid SCHEMBL11471464 0.73 MAPK14 (0.52) MAOAMAOBPRKCIMEN1MAPK1
SCHEMBL1725142 0.73 HSD17B10 (0.52) MAOAMAOBPRKCIMEN1MAPK1
SCHEMBL1853918 0.73 HSD17B10 (0.52) MAOAMAOBPRKCIMEN1MAPK1

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