SCHEMBL9512932

SCHEMBL9512932

CCC(C)C(c1ncc(CO)[nH]1)c1ccccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 2/20 0.34
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
BRS3 P32247 5/20 0.33
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
AOC3 Q16853 1/20 0.31
HIF1A Q16665 2/20 0.30
NFKB1 P19838 1/20 0.30
GLS O94925 1/20 0.30
TSHR P16473 1/20 0.30
KDM5A P29375 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
CBFB Q13951 1/20 0.30

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
Hydrochloric Acid SCHEMBL9267606 0.88 F2RL1 (0.32) F2RL1ADRB2ADRB1CYP2C9CYP2C19
SCHEMBL8954349 0.78 BRS3 (0.37) BRS3
SCHEMBL9452746 0.76 BRS3 (0.39) F2RL1BRS3
SCHEMBL6928446 0.70 HTR1B (0.40) BRS3TSHR
SCHEMBL12740605 0.68 PKM (0.34) BRS3
SCHEMBL21612981 0.68 ADRB2 (0.44) ADRB2ADRB1CYP2D6CYP2C9CYP2C19
SCHEMBL8114878 0.64 BRS3 (0.51) BRS3CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL9473675 0.64 KDM4E (0.42) BRS3CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL20706300 0.62 ADRB2 (0.50) ADRB2ADRB1CYP2D6CYP1A2CYP3A4
SCHEMBL9425091 0.61 BRS3 (0.38) BRS3

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
EP-0561979-A1 USE OF ANGIOTENSIN II ANTAGONISTS IN THE TREATMENT OF ANGINA PECTORIS SMITHKLINE BEECHAM PLC (GB) 1993-09-29 EP disclosed