SCHEMBL25619080

SCHEMBL25619080

CC(C)c1ccnn1CCOCCO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPK1 P28482 2/20 0.34
▸ ABCB11 O95342 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ HRH2 P25021 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ HTR5A P47898 1/20 0.33
▸ HTR6 P50406 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
SCHEMBL25619098 0.80 MPO (0.37) MAPK1ALDH1A1TSHRTDP1SMN1; SMN2
SCHEMBL25625900 0.75 HTT (0.35) MEN1KMT2AMAPK1HTTTSHR
SCHEMBL26319285 0.73 MAPK1 (0.36) MAPK1ALDH1A1NTRK1
SCHEMBL25619104 0.73 MAPK1 (0.36) MAPK1HTR2AHTR2BALDH1A1
SCHEMBL25619103 0.70 UBE2M (0.34) MAPK1CHRM2DRD2HTR2AHRH1
SCHEMBL25619087 0.69 CACNA1G (0.37) MEN1KMT2AMAPK1ABCB11CHRM2
SCHEMBL24875813 0.67 SIGMAR1 (0.44) MEN1KMT2AMAPK1CHRM2HTR2A
SCHEMBL26319271 0.66 MAPK1 (0.33) MAPK1HTR2AALDH1A1
SCHEMBL24875216 0.66 MAPK1 (0.34) MAPK1HRH1
SCHEMBL24875175 0.66 CYP19A1 (0.46) KMT2ATSHR

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-2023097187-A1 AMPK ACTIVATORS KALLYOPE, INC. (US) 2023-06-01 — — WO disclosed
Send feedback