SCHEMBL4574763

SCHEMBL4574763

N#CC1(c2ccccc2I)CCC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRM1 P35372 3/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
PDE7A Q13946 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
BACE1 P56817 1/20 0.31
PGR P06401 1/20 0.30

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
SCHEMBL4574189 0.92 OPRM1 (0.35) NPC1ALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL6111097 0.87 OPRM1 (0.33) OPRM1CA12CA1CA2CA9
SCHEMBL1558737 0.82 MEN1 (0.34) MEN1KMT2AOPRM1CA12CA1
SCHEMBL3159094 0.82 MEN1 (0.38) MEN1KMT2AOPRM1PDE7ABACE1
SCHEMBL2046481 0.78 NPC1 (0.39) NPC1ALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL625354 0.78 NPC1 (0.44) NPC1ALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL624164 0.77 ADRA1A (0.41) OPRM1
SCHEMBL18742441 0.77 HDAC4 (0.41) OPRM1LMNA
SCHEMBL8106440 0.77 PDE7A (0.36) NPC1ALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL10526403 0.77 OPRM1 (0.39) NPC1ALDH1A1RAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119977947-A PRMT5 inhibitor, pharmaceutical composition thereof and application of PRMT5 inhibitor in medicines 广东东阳光药业股份有限公司 2025-05-13 CN disclosed
WO-2008050200-A1 OXADIAZOLE COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-05-02 WO disclosed