SCHEMBL30874651

SCHEMBL30874651

CC(O)CN1CCN(c2ccccn2)CC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 1/20 0.64
▸ ALDH1A1 P00352 3/20 0.62
▸ LMNA P02545 3/20 0.62
▸ MAPT P10636 3/20 0.62
▸ POLB P06746 2/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ HPGD P15428 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ HSD17B10 Q99714 1/20 0.62
▸ MEN1 O00255 3/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ HTR1A P08908 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.56
▸ DRD4 P21917 1/20 0.56

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
SCHEMBL10147158 0.88 IGF1R (0.59) IGF1RALDH1A1LMNAMAPTPOLB
SCHEMBL10587768 0.85 IGF1R (0.64) IGF1RALDH1A1LMNAMAPTPOLB
SCHEMBL4486168 0.85 IGF1R (0.56) IGF1RALDH1A1LMNAMAPTPOLB
SCHEMBL4491439 0.85 IGF1R (0.56) IGF1RALDH1A1LMNAMAPTPOLB
SCHEMBL19003598 0.85 IGF1R (0.56) IGF1RALDH1A1LMNAMAPTPOLB
SCHEMBL12781849 0.84 LMNA (0.68) IGF1RALDH1A1LMNAMAPTPOLB
SCHEMBL22639728 0.83 HTR1A (0.57) IGF1RALDH1A1LMNAMAPTPOLB
SCHEMBL22639898 0.83 HTR1A (0.57) IGF1RALDH1A1LMNAMAPTPOLB
Hydrochloric Acid SCHEMBL9493281 0.82 LMNA (0.67) IGF1RALDH1A1LMNAMAPTPOLB
SCHEMBL7291269 0.82 LMNA (0.67) IGF1RALDH1A1LMNAMAPTPOLB

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-117886779-A Piperazine alcohol compound with chiral hydroxyl, preparation method and medical application thereof 徐州医科大学 2024-04-16 — — CN disclosed
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