SCHEMBL9864201

SCHEMBL9864201

CC(=O)C=C(OCCCC(N(C)C)C1(c2ccc(Cl)cc2)CCC1)C(=O)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
HTR2A P28223 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 1/20 0.41
LMNA P02545 5/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
USP2 O75604 2/20 0.37
FKBP1A P62942 1/20 0.35

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
SCHEMBL9864368 0.83 CHRM2 (0.45) SLC6A2SLC6A4SLC6A3CHRM2ADRA2A
SCHEMBL9863866 0.76 SLC6A3 (0.54) SLC6A2SLC6A4SLC6A3CHRM2ADRA2A
SCHEMBL9863600 0.73 SLC6A3 (0.53) SLC6A2SLC6A4SLC6A3CHRM2ADRA2A
SCHEMBL9864592 0.71 SLC6A3 (0.59) SLC6A2SLC6A4SLC6A3CHRM2ADRA2A
SCHEMBL9863858 0.71 SLC6A3 (0.50) SLC6A2SLC6A4SLC6A3CHRM2ADRA2A
SCHEMBL9864080 0.70 SLC6A3 (0.52) SLC6A2SLC6A4SLC6A3CHRM2ADRA2A
SCHEMBL9864745 0.70 SLC6A3 (0.49) SLC6A2SLC6A4SLC6A3CHRM2ADRA2A
SCHEMBL9863863 0.70 SLC6A3 (0.56) SLC6A2SLC6A4SLC6A3CHRM2ADRA2A
SCHEMBL9863717 0.70 SLC6A3 (0.60) SLC6A2SLC6A4SLC6A3CHRM2ADRA2A
SCHEMBL9864446 0.70 SLC6A3 (0.56) SLC6A2SLC6A4SLC6A3CHRM2ADRA2A

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
US-5047432-A Antidepressants THE BOOTS COMPANY PLC (GB) 1991-09-10 US disclosed