SCHEMBL11087208

SCHEMBL11087208

COc1ccc(CC(C)NCC(O)c2ccccc2Cl)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 11/20 0.54
ADRB1 P08588 3/20 0.54
ADRB3 P13945 2/20 0.50
ATM Q13315 1/20 0.47
SIGMAR1 Q99720 1/20 0.45
KDM1A O60341 1/20 0.45
SLC2A1 P11166 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL7152349 1.00 ADRB2 (0.54) ADRB2ADRB1ADRB3ATMSIGMAR1
SCHEMBL7152345 1.00 ADRB2 (0.54) ADRB2ADRB1ADRB3ATMSIGMAR1
Hydrochloric Acid SCHEMBL11084321 0.99 ADRB2 (0.53) ADRB2ADRB1ADRB3ATMSIGMAR1
SCHEMBL7152844 0.90 ADRB1 (0.54) ADRB2ADRB1ADRB3SIGMAR1KDM1A
SCHEMBL7152845 0.90 ADRB1 (0.54) ADRB2ADRB1ADRB3SIGMAR1KDM1A
SCHEMBL11088887 0.90 ADRB1 (0.54) ADRB2ADRB1ADRB3SIGMAR1KDM1A
Hydrochloric Acid SCHEMBL11084224 0.89 ADRB1 (0.53) ADRB2ADRB1ADRB3SIGMAR1KDM1A
SCHEMBL7150604 0.89 ADRB1 (0.45) ADRB2ADRB1ADRB3SLC2A1
SCHEMBL7150602 0.89 ADRB1 (0.45) ADRB2ADRB1ADRB3SLC2A1
SCHEMBL11088831 0.87 ADRB1 (0.51) ADRB2ADRB1ADRB3

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
US-4490392-A Benzylalcohol derivative and process for preparing TANABE SEIYAKU CO., LTD. (JP) 1984-12-25 US claimed
US-4490392-A Benzylalcohol derivative and process for preparing TANABE SEIYAKU CO., LTD. (JP) 1984-12-25 US disclosed