SCHEMBL10508397

SCHEMBL10508397

O=[N+]([O-])c1ccc2c(c1)CCC(CO)O2

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNMT P11086 5/20 0.48
ADRA2A P08913 3/20 0.48
GRIN2B Q13224 4/20 0.41
AKR1B1 P15121 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
CHRNB4 P30926 3/20 0.37
CHRNA3 P32297 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL8125260 0.89 PNMT (0.48) PNMTADRA2AGRIN2BMEN1KMT2A
SCHEMBL16650443 0.86 PNMT (0.46) PNMTADRA2AGRIN2BAKR1B1MEN1
SCHEMBL7390944 0.86 GRIN2B (0.41) PNMTADRA2AGRIN2BMEN1KMT2A
SCHEMBL6493305 0.85 ITGB3 (0.50) PNMTADRA2AGRIN2BAKR1B1MAPT
SCHEMBL6492849 0.85 ITGB3 (0.50) PNMTADRA2AGRIN2BAKR1B1MAPT
SCHEMBL8426665 0.84 PNMT (0.41) PNMTADRA2AGRIN2BAKR1B1MEN1
SCHEMBL6490826 0.81 MEN1 (0.41) PNMTADRA2AGRIN2BMEN1KMT2A
SCHEMBL8425944 0.81 PNMT (0.38) PNMTADRA2AGRIN2BMEN1KMT2A
SCHEMBL8424903 0.81 PNMT (0.38) PNMTADRA2AGRIN2BMEN1KMT2A
SCHEMBL8428904 0.81 GRIN2B (0.38) PNMTADRA2AGRIN2BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119306706-A Difunctional compound targeting androgen receptor protein degradation and application thereof 上海壹迪生物技术有限公司 2025-01-14 CN disclosed
WO-2019037742-A1 IMIDAZOLONE ANDROGEN RECEPTOR ANTAGONIST, PREPARATION METHOD THEREFOR AND USE THEREOF 上海时莱生物技术有限公司 2019-02-28 WO disclosed
EP-0145067-B1 DERIVATIVES OF 2,2'-IMINOBISETHANOL JANSSEN PHARMACEUTICA N.V. (BE) 1989-01-25 EP disclosed
US-4654362-A CARDIOVASCULAR DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 1987-03-31 US disclosed
EP-0145067-A2 Derivatives of 2,2'-iminobisethanol JANSSEN PHARMACEUTICA N.V. (BE) 1985-06-19 EP disclosed