SCHEMBL8971813

SCHEMBL8971813

C1=C(CN2CCN(CC3=COc4ccccc4O3)CC2)Oc2ccccc2O1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.43
SIGMAR1 Q99720 4/20 0.41
MPO P05164 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
MC4R P32245 1/20 0.35
CYP2D6 P10635 1/20 0.35
HTR1A P08908 1/20 0.35
DRD4 P21917 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL17002620 0.74 MTNR1A (0.53) MTNR1ASCN1ASCN2ASCN3AMEN1
SCHEMBL7204577 0.72 MTNR1A (0.51) MTNR1ASCN1ASCN2ASCN3A
SCHEMBL7203114 0.72 MTNR1A (0.47) MTNR1ASCN1ASCN2ASCN3A
SCHEMBL9261138 0.70 DRD2 (0.51) DRD4MEN1KMT2A
SCHEMBL6555327 0.69 MTNR1A (0.57) MTNR1ASCN1ASCN2ASCN3A
SCHEMBL7198607 0.69 MTNR1A (0.53) MTNR1ASCN1ASCN2ASCN3AALDH1A1
SCHEMBL7203987 0.69 MTNR1A (0.53) MTNR1ASCN1ASCN2ASCN3A
SCHEMBL30906151 0.65 LMNA (0.40) SCN1ASCN2ASCN3ACYP2D6ALDH1A1
SCHEMBL6437548 0.65 AHR (0.46) MTNR1ALMNA
SCHEMBL7198985 0.62 MTNR1A (0.73) MTNR1ASCN1ASCN2ASCN3AKMT2A

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-4310524-A TCA Composition and method for rapid onset antidepressant therapy RICHARDSON-MERRELL, INC. (US) 1982-01-12 US claimed
CN-109824646-B Method for synthesizing optically pure 2-hydroxymethyl-1, 4-benzodioxan and derivative thereof 陕西师范大学 2021-12-07 CN disclosed
CN-109824646-A A kind of method of the pure 2- methylol -1,4- benzodioxane of synthesizing optical and its derivative 陕西师范大学 2019-05-31 CN disclosed
EP-0700285-A1 A DRUG DELIVERY COMPOSITION FOR ALPHA-ADRENO RECEPTOR BLOCKING AGENTS SYNTHELABO (FR) 1996-03-13 EP disclosed
WO-1994027582-A1 A DRUG DELIVERY COMPOSITION FOR ALPHA-ADRENO RECEPTOR BLOCKING AGENTS DANBIOSYST UK LIMITED (GB) 1994-12-08 WO disclosed
US-5338550-A Stereoisomer therapy ALZA CORPORATION (US) 1994-08-16 US disclosed
US-5204116-A Dosage form providing immediate therapy followed by prolonged therapy ALZA CORPORATION (US) 1993-04-20 US disclosed
US-4310524-A TCA Composition and method for rapid onset antidepressant therapy RICHARDSON-MERRELL, INC. (US) 1982-01-12 US disclosed