SCHEMBL28458809

SCHEMBL28458809

COc1ccc(C(CC#N)C2(O)CCCCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.65
SLC6A4 P31645 9/20 0.65
SLC6A3 Q01959 5/20 0.65
LMNA P02545 1/20 0.65
CNR1 P21554 1/20 0.65
HTR2A P28223 1/20 0.65
HRH1 P35367 1/20 0.65
HRH3 Q9Y5N1 1/20 0.65
PBRM1 Q86U86 1/20 0.46
OPRM1 P35372 1/20 0.45

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
SCHEMBL13190240 0.84 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL12188002 0.81 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL637250 0.81 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL8038687 0.81 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3LMNACNR1
Venlafaxine SCHEMBL6872633 0.81 SLC6A2 (0.97) SLC6A2SLC6A4SLC6A3LMNACNR1
Venlafaxine SCHEMBL6554144 0.81 SLC6A2 (0.97) SLC6A2SLC6A4SLC6A3LMNACNR1
Hydrogen Sulfide SCHEMBL28158135 0.80 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL14224708 0.80 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3LMNACNR1
Hydrochloric Acid SCHEMBL3325847 0.80 SLC6A2 (0.71) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL5815212 0.80 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3LMNACNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112159330-A Preparation method of venlafaxine hydrochloride intermediate 苏州第四制药厂有限公司 2021-01-01 CN claimed
CN-111675671-A Preparation method of venlafaxine impurity E 苏州第四制药厂有限公司 2020-09-18 CN claimed
CN-112159330-A Preparation method of venlafaxine hydrochloride intermediate 苏州第四制药厂有限公司 2021-01-01 CN disclosed
CN-108752235-B Method for preparing drug intermediate by hydrotalcite material catalysis 武汉普元药业有限责任公司 2020-11-10 CN disclosed
CN-108752235-B Method for preparing drug intermediate by hydrotalcite material catalysis 武汉普元药业有限责任公司 2020-11-10 CN disclosed
CN-111675671-A Preparation method of venlafaxine impurity E 苏州第四制药厂有限公司 2020-09-18 CN disclosed