SCHEMBL31483066

SCHEMBL31483066

Cn1cc(CCCN)cn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.40
PDE8B O95263 1/20 0.38
KCNH2 Q12809 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
ALDH1A1 P00352 3/20 0.36
SPNS2 Q8IVW8 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PDE10A Q9Y233 1/20 0.36
CHEK1 O14757 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRR1 P24046 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AKT2 P31751 1/20 0.35

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
SCHEMBL1751510 0.88
Hydrochloric Acid SCHEMBL29020219 0.86 TDP1 (0.41) CYP2A6PDE8BKCNH2ALDH1A1PDE10A
SCHEMBL12425628 0.82 HSD11B1 (0.39) PDE8BKCNH2ALDH1A1SMN1; SMN2PDE10A
SCHEMBL20045386 0.80 TDP1 (0.43) KCNH2ALDH1A1SPNS2SMN1; SMN2L3MBTL1
SCHEMBL3327111 0.80 JAK2 (0.40) PDE8BKCNH2ALDH1A1SMN1; SMN2PDE10A
SCHEMBL3321189 0.80 KCNH2 (0.37) PDE8BKCNH2ALDH1A1SMN1; SMN2PDE10A
SCHEMBL243921 0.79
SCHEMBL23709740 0.78 TDP1 (0.42) ALDH1A1SPNS2SMN1; SMN2L3MBTL1
SCHEMBL19441245 0.78 TDP1 (0.42) ALDH1A1SPNS2SMN1; SMN2L3MBTL1
SCHEMBL9776 0.78 MEN1 (0.43) ALDH1A1SMN1; SMN2HTTL3MBTL1

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
CN-119841829-A Compounds for the treatment of PI3K gamma mediated diseases and uses thereof 中国科学院合肥物质科学研究院 2025-04-18 CN disclosed