SCHEMBL9326949

SCHEMBL9326949

COc1cccc2c1CCCC2CN(C)CCc1ccc2c(c1)COC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.72
HTR1A P08908 3/20 0.72
ADRA2A P08913 1/20 0.70
ADRA2B P18089 1/20 0.70
ADRA2C P18825 1/20 0.70
DRD4 P21917 1/20 0.70

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
SCHEMBL8814536 1.00 SLC6A4 (0.72) SLC6A4HTR1AADRA2AADRA2BADRA2C
SCHEMBL9548998 0.94 HTR1A (0.65) SLC6A4HTR1A
SCHEMBL8809960 0.94 SLC6A4 (0.69) SLC6A4HTR1AADRA2AADRA2BADRA2C
SCHEMBL8813694 0.94 SLC6A4 (0.69) SLC6A4HTR1AADRA2AADRA2BADRA2C
SCHEMBL8808941 0.91 HTR1A (0.75) SLC6A4HTR1AADRA2AADRA2BADRA2C
SCHEMBL8808946 0.91 HTR1A (0.75) SLC6A4HTR1AADRA2AADRA2BADRA2C
SCHEMBL9326614 0.89 SLC6A4 (0.66) SLC6A4HTR1AADRA2AADRA2BADRA2C
SCHEMBL9326678 0.89 SLC6A4 (0.66) SLC6A4HTR1AADRA2AADRA2BADRA2C
SCHEMBL9549455 0.88 SLC6A4 (0.80) SLC6A4HTR1AADRA2AADRA2BADRA2C
SCHEMBL9326361 0.87 HTR1A (0.68) SLC6A4HTR1A

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-5288749-A Treating central nervous system or cardiovascular disorders ABBOTT LABORATORIES (US) 1994-02-22 US disclosed