SCHEMBL24724734

SCHEMBL24724734

Nc1nc(NCC2CCCCC2)nc(NC2CC3CCC2C3)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 1/20 0.39
HRH4 Q9H3N8 5/20 0.39
CNR2 P34972 2/20 0.39
APP P05067 1/20 0.38
EPHX1 P07099 1/20 0.35
CTSK P43235 1/20 0.34
PRKCQ Q04759 1/20 0.34
IDH1 O75874 2/20 0.34
CNR1 P21554 1/20 0.33
IDH2 P48735 1/20 0.33
NAE1 Q13564 1/20 0.32
UBA3 Q8TBC4 1/20 0.32
RET P07949 1/20 0.32
CPB2 Q96IY4 1/20 0.32

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
SCHEMBL24933040 0.82 LMNA (0.42) HRH4CNR2CTSKIDH1
SCHEMBL8039831 0.81 APP (0.51) TPH1HRH4APPIDH1IDH2
SCHEMBL24724746 0.78 CNR2 (0.37) TPH1HRH4CNR2IDH1CNR1
SCHEMBL8053409 0.78 APP (0.51) TPH1HRH4APPIDH1RET
SCHEMBL25868870 0.77 VCP (0.44) TPH1CNR2EPHX1
SCHEMBL24724733 0.75 ALDH1A1 (0.46) TPH1CNR2
SCHEMBL23346071 0.75 HDAC6 (0.40) TPH1CNR2IDH1CNR1IDH2
SCHEMBL4829259 0.73 GALR1 (0.58) CNR2IDH1CNR1
SCHEMBL8054361 0.72 IDH1 (0.46) TPH1APPIDH1IDH2RET
SCHEMBL22188708 0.71 HRH4 (0.45) HRH4CTSKIDH2RET

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-2022235699-A2 POTENT ASGPR-BINDING COMPOUNDS FOR THE DEGRADATION OF IMMUNOGLOBULINS AND OTHER PROTEINS AVILAR THERAPEUTICS, INC. (US) 2022-11-10 WO disclosed