SCHEMBL30965992

SCHEMBL30965992

O=C1CCCc2ccc(Oc3ccc(OC(F)(F)F)cc3)cc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 10/20 0.49
MAOB P27338 10/20 0.49
TRPV1 Q8NER1 2/20 0.45
CYP2A6 P11509 1/20 0.40
HRH3 Q9Y5N1 3/20 0.39
GPR174 Q9BXC1 1/20 0.38
CES1 P23141 1/20 0.38
CHRM5 P08912 1/20 0.37
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP14 P50281 1/20 0.36
PRKCI P41743 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL26706343 0.91 MAOA (0.54) MAOAMAOBTRPV1CYP2A6HRH3
SCHEMBL30966007 0.89 MAOB (0.53) MAOAMAOBTRPV1HRH3PRKCI
SCHEMBL7590260 0.82 MAOA (0.65) MAOAMAOBCYP2A6HRH3GPR174
SCHEMBL30966021 0.82 MAOA (0.65) MAOAMAOBCYP2A6HRH3GPR174
SCHEMBL31660773 0.82 PBRM1 (0.49) MAOAMAOBTRPV1HRH3CES1
SCHEMBL8126748 0.82 PBRM1 (0.49) MAOAMAOBTRPV1HRH3CES1
SCHEMBL29758928 0.79 MAOB (0.58) MAOAMAOBCES1PRKCI
SCHEMBL1697983 0.79 MAOB (0.58) MAOAMAOBCES1PRKCI
SCHEMBL30837166 0.77 HSD17B1 (0.60) MAOAMAOBHRH3PRKCI
SCHEMBL20613839 0.77 MAOA (0.51) MAOAMAOBCYP2A6HRH3PRKCI

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