SCHEMBL5815212

SCHEMBL5815212

COc1ccc(C(C#N)C2(O)CCCCC2)cc1.COc1ccc(C(CN)C2(O)CCCCC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.57
SLC6A4 P31645 8/20 0.57
SLC6A3 Q01959 6/20 0.57
LMNA P02545 1/20 0.57
CNR1 P21554 1/20 0.57
HTR2A P28223 1/20 0.57
HRH1 P35367 1/20 0.57
HRH3 Q9Y5N1 1/20 0.57
OPRM1 P35372 1/20 0.40

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
SCHEMBL637250 0.89 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL1671921 0.89 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL12188002 0.89 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL8038687 0.89 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3LMNACNR1
Hydrochloric Acid SCHEMBL3325847 0.87 SLC6A2 (0.71) SLC6A2SLC6A4SLC6A3LMNACNR1
Hydrogen Sulfide SCHEMBL28158135 0.87 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3LMNACNR1
Oxalic Acid SCHEMBL3710175 0.83 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3LMNACNR1
Sulfuric Acid SCHEMBL27999742 0.83 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3LMNACNR1
Acetic Acid SCHEMBL3036343 0.83 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3LMNACNR1
Formic Acid SCHEMBL27642652 0.83 SLC6A2 (0.62) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006067808-A1 AN IMPROVED PROCESS FOR PRODUCTION OF INTERMEDIATE OF ANTIDEPRESSANT AGENT CALYX CHEMICALS & PHARMACEUTICALS PRIVATE LIMITED (IN) 2006-06-29 WO disclosed