SCHEMBL20608337

SCHEMBL20608337

CCc1ccccc1OCC(O)CN[C@H]1CCCc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 1.00
MEN1 O00255 4/20 1.00
CYP1A2 P05177 3/20 1.00
ADRB2 P07550 3/20 1.00
ADRB1 P08588 3/20 1.00
ADRB3 P13945 3/20 1.00
TP53 P04637 2/20 1.00
CYP3A4 P08684 2/20 1.00
TSHR P16473 2/20 1.00
CYP2C19 P33261 2/20 1.00
CYP2D6 P10635 2/20 0.64
CYP2C9 P11712 2/20 0.64
THPO P40225 1/20 0.64
NPC1 O15118 1/20 0.64
MTOR P42345 1/20 0.64
RAB9A P51151 1/20 0.64
ALDH1A1 P00352 5/20 0.64
HTT P42858 2/20 0.64
KDM4E B2RXH2 6/20 0.62
LMNA P02545 2/20 0.62

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
SCHEMBL29766867 1.00 KMT2A (1.00) KMT2AMEN1CYP1A2ADRB2ADRB1
SCHEMBL3692842 1.00 KMT2A (1.00) KMT2AMEN1CYP1A2ADRB2ADRB1
SCHEMBL30541631 1.00 KMT2A (1.00) KMT2AMEN1CYP1A2ADRB2ADRB1
Hydrochloric Acid SCHEMBL2334376 0.99 KMT2A (0.98) KMT2AMEN1CYP1A2ADRB2ADRB1
Oxalic Acid SCHEMBL29429320 0.96 KMT2A (0.92) KMT2AMEN1CYP1A2ADRB2ADRB1
Oxalic Acid SCHEMBL16162598 0.96 KMT2A (0.92) KMT2AMEN1CYP1A2ADRB2ADRB1
Oxalic Acid SCHEMBL14354386 0.96 KMT2A (0.92) KMT2AMEN1CYP1A2ADRB2ADRB1
SCHEMBL9537333 0.87 KMT2A (0.77) KMT2AMEN1CYP1A2ADRB2ADRB1
SCHEMBL9540272 0.87 KMT2A (0.77) KMT2AMEN1CYP1A2ADRB2ADRB1
SCHEMBL9533664 0.87 ADRB2 (0.76) KMT2AMEN1CYP1A2ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190010548-A1 METHODS AND MATERIALS FOR DETERMINING PAIN SENSITIVITY AND PREDICTING AND TREATING RELATED DISORDERS UNIV NORTH CAROLINA CHAPEL HILL (US) 2019-01-10 US claimed
US-20250281447-A1 SIGMA-1 RECEPTOR AGONIST SYSTOLIC BLOOD PRESSURE THERAPY ANAVEX LIFE SCIENCES CORP. 2025-09-11 US disclosed
CN-111712241-B Sigma-1 receptor agonist systolic blood pressure therapy 阿纳韦克斯生命科学公司 2024-02-13 CN disclosed
WO-2023159253-A2 ALPHA 2 ADRENERGIC RECEPTOR BLOCKADE FOR THE TREATMENT OF C. DIFFICILE COLITIS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2023-08-24 WO disclosed
US-11622955-B2 Sigma-1 receptor agonist systolic blood pressure therapy ANAVEX LIFE SCIENCES CORP. (US) 2023-04-11 US disclosed
US-20230071766-A1 SIGMA-1 RECEPTOR AGONIST SYSTOLIC BLOOD PRESSURE THERAPY ANAVEX LIFE SCIENCES CORP. (US) 2023-03-09 US disclosed
US-20210186920-A1 SIGMA-1 RECEPTOR AGONIST SYSTOLIC BLOOD PRESSURE THERAPY ANAVEX LIFE SCIENCES CORP. (US) 2021-06-24 US disclosed
CN-111712241-A Sigma-1 receptor agonist systolic blood pressure therapy 阿纳韦克斯生命科学公司 2020-09-25 CN disclosed