SCHEMBL22877461

SCHEMBL22877461

CCCCCC(CCCC)N1CCCCCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.42
L3MBTL1 Q9Y468 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DNM1 Q05193 2/20 0.36
ALDH1A1 P00352 1/20 0.36
OPRM1 P35372 1/20 0.34
FDPS P14324 4/20 0.34
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL27656287 1.00 HRH3 (0.42) HRH3L3MBTL1MEN1KMT2ATDP1
SCHEMBL27902165 0.98 HRH3 (0.41) HRH3L3MBTL1MEN1KMT2ATDP1
SCHEMBL27792525 0.98 HRH3 (0.41) HRH3L3MBTL1MEN1KMT2ATDP1
SCHEMBL29107081 0.98 HRH3 (0.41) HRH3L3MBTL1MEN1KMT2ATDP1
SCHEMBL27499872 0.98 HRH3 (0.41) HRH3L3MBTL1MEN1KMT2ATDP1
SCHEMBL27656273 0.98 HRH3 (0.41) HRH3L3MBTL1MEN1KMT2ATDP1
SCHEMBL24688643 0.98 HRH3 (0.40) HRH3L3MBTL1MEN1KMT2ATDP1
SCHEMBL3160023 0.98 HRH3 (0.40) HRH3L3MBTL1MEN1KMT2ATDP1
SCHEMBL14127444 0.98 HRH3 (0.40) HRH3L3MBTL1MEN1KMT2ATDP1
SCHEMBL14127405 0.96 DNM1 (0.41) HRH3L3MBTL1MAPTMAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021007277-A1 COMPOUNDS AND METHODS FOR THE TREATMENT AND PREVENTION OF FIBROTIC DISEASE STATES AND CANCER PURDUE RESEARCH FOUNDATION (US) 2021-01-14 WO disclosed