SCHEMBL30523217

SCHEMBL30523217

COc1ccc(C(C)C2(O)CCCC(C)C2(C)N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.37
SLC6A3 Q01959 7/20 0.37
SLC6A2 P23975 7/20 0.37
LMNA P02545 1/20 0.37
CNR1 P21554 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRND Q07001 1/20 0.35
OPRM1 P35372 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
SCHEMBL7704043 0.69 SLC6A4 (0.45) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL639268 0.68 SLC6A4 (0.60) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL6923366 0.66 SLC6A4 (0.47) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL6457544 0.66 SLC6A4 (0.47) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL30572459 0.65 SLC6A4 (0.47) SLC6A4SLC6A3SLC6A2CHRNA1CHRNG
SCHEMBL30523218 0.65 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL12858328 0.64 SLC6A4 (0.44) SLC6A4SLC6A3SLC6A2CHRNA1CHRNG
SCHEMBL15766029 0.62 GRM3 (0.41) SLC6A4
SCHEMBL25620287 0.61 SLC6A2 (0.53) SLC6A4SLC6A3SLC6A2LMNAKMT2A
SCHEMBL25620291 0.60 SLC6A2 (0.55) SLC6A4SLC6A3SLC6A2LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3580198-B1 A PROCESS FOR PREPARATION OF1-[2-(DIMETHYLAMINO)-1-(4-HYDROXYPHENYL) ETHYL]-CYCLOHEXANOL AND SALTS THEREOF R L FINECHEM PRIVATE LTD (IN) 2023-08-09 EP claimed
EP-3580198-B1 A PROCESS FOR PREPARATION OF1-[2-(DIMETHYLAMINO)-1-(4-HYDROXYPHENYL) ETHYL]-CYCLOHEXANOL AND SALTS THEREOF R L FINECHEM PRIVATE LTD (IN) 2023-08-09 EP disclosed