SCHEMBL29077216

SCHEMBL29077216

OB(Oc1cccc(N2CCOCC2)c1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.51
▸ KMO O15229 1/20 0.50
▸ AR P10275 1/20 0.46
▸ AGXT P21549 1/20 0.45
▸ NTRK1 P04629 1/20 0.42
▸ AKR1C3 P42330 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ FAAH O00519 2/20 0.42
▸ PIK3CD O00329 2/20 0.41
▸ PIK3CA P42336 2/20 0.41
▸ PIK3CB P42338 2/20 0.41
▸ PIK3CG P48736 2/20 0.41
▸ PRKDC P78527 2/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ TMEM97 Q5BJF2 1/20 0.41

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
SCHEMBL27756289 0.84 KMO (0.53) LMNAKMOARAGXTNTRK1
SCHEMBL875323 0.77 KMO (0.55) LMNAKMOARAGXTAKR1C3
Hydrochloric Acid SCHEMBL1677086 0.76 KMO (0.54) LMNAKMOARAGXTAKR1C3
SCHEMBL21754995 0.74 AGXT (0.47) LMNAKMOARAGXTAKR1C3
SCHEMBL27329825 0.73 LMNA (0.71) LMNAKMOARAGXTAKR1C3
SCHEMBL254812 0.73 LMNA (0.95) LMNAKMOARAKR1C3PKM
SCHEMBL3948094 0.73 LMNA (0.95) LMNAKMOARAKR1C3PKM
SCHEMBL2555823 0.73 LMNA (0.95) LMNAKMOARAKR1C3PKM
SCHEMBL20627137 0.72 LMNA (0.55) LMNAKMOARAGXTAKR1C3
SCHEMBL4834394 0.72 ADRB1 (0.65) LMNAKMOAGXTCYP2C9CYP2C19

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-116730943-B Compound and medical application thereof 中国药科大学 2025-02-11 — — CN disclosed
CN-116730943-A Compound and medical application thereof 中国药科大学 2023-09-12 — — CN disclosed
Send feedback