SCHEMBL9820752

SCHEMBL9820752

[CH2]CCCC1CCNC(CCCCc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.40
CCR3 P51677 4/20 0.40
SLC6A4 P31645 3/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39

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
SCHEMBL9820857 0.96 CCR3 (0.41) PLGCCR3SLC6A4SLC6A2SLC6A3
SCHEMBL18995298 0.84 CCR3 (0.42) PLGCCR3SLC6A4SLC6A2SLC6A3
SCHEMBL27818694 0.78 NPC1 (0.43) PLGCCR3SLC6A4SLC6A2SLC6A3
SCHEMBL29139845 0.77 SIGMAR1 (0.47)
SCHEMBL3358034 0.74 GBA1 (0.59) SLC6A4
SCHEMBL25075404 0.73 SLC6A4 (0.45) PLGSLC6A4SLC6A2SLC6A3
SCHEMBL9820952 0.73 CYP19A1 (0.40)
SCHEMBL11537058 0.72 GBA1 (0.58) SLC6A4
SCHEMBL8698749 0.72 HMOX1 (0.41)
SCHEMBL8701883 0.72 CYP19A1 (0.40) PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5017724-A Antihypoxic, CNS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-21 US disclosed
EP-0267024-B1 HYDROFLUORENE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 EP disclosed
EP-0267024-A2 Hydrofluorene derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-05-11 EP disclosed