SCHEMBL30223409

SCHEMBL30223409

FC(F)(F)c1cnc(N2CCCNCC2)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 8/20 0.53
LMNA P02545 3/20 0.53
MAPT P10636 5/20 0.52
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TP53 P04637 1/20 0.52
KDM4E B2RXH2 1/20 0.52
CNR2 P34972 4/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
PKM P14618 1/20 0.50
RECQL P46063 1/20 0.49

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
SCHEMBL2009112 1.00 POLB (0.63) POLBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL232841 0.94 POLB (0.69) POLBNPC1RAB9ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL25310714 0.93 POLB (0.68) POLBNPC1RAB9ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL2966520 0.93 POLB (0.68) POLBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL9105524 0.87 POLB (0.75) POLBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2365866 0.80 ADRB1 (0.51) POLBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1999759 0.79 POLB (0.71) POLBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2575981 0.79 ADRB1 (0.50) POLBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4907149 0.79 POLB (0.71) POLBNPC1RAB9ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL25426101 0.77 ADRB1 (0.49) POLBNPC1RAB9ASMN1; SMN2LMNA

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-4373808-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS Institut national de la santé et de la recherche médicale (INSERM) (FR) 2024-05-29 EP claimed
CN-118076585-A Gram negative bacteria efflux pump inhibitors 国家医疗保健研究所 2024-05-24 CN claimed
WO-2023002011-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2023-01-26 WO claimed
EP-4373808-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS Institut national de la santé et de la recherche médicale (INSERM) (FR) 2024-05-29 EP disclosed
CN-118076585-A Gram negative bacteria efflux pump inhibitors 国家医疗保健研究所 2024-05-24 CN disclosed
WO-2023002011-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2023-01-26 WO disclosed