SCHEMBL9095138

SCHEMBL9095138

CC(N)[C@H](O)c1ccc(O)c(O)c1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 3/20 0.58
▸ ADRA2C P18825 3/20 0.58
▸ ADRA1A P35348 3/20 0.58
▸ ADRB2 P07550 2/20 0.58
▸ ADRA2B P18089 2/20 0.58
▸ ADRA1B P35368 1/20 0.58
▸ ADRB1 P08588 2/20 0.53
▸ ADRB3 P13945 1/20 0.53
▸ KDM4E B2RXH2 5/20 0.46
▸ RECQL P46063 4/20 0.46
▸ TDP1 Q9NUW8 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ HIF1A Q16665 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ THPO P40225 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ POLB P06746 1/20 0.46

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
SCHEMBL9095132 1.00 ADRA2A (0.58) ADRA2AADRA2CADRA1AADRB2ADRA2B
SCHEMBL15631302 0.78 ADRA1A (0.57) ADRA2AADRA2CADRA1AADRB2ADRA2B
SCHEMBL29374680 0.73 ADRA2A (1.00) ADRA2AADRA2CADRA1AADRB2ADRA2B
SCHEMBL10430788 0.71 LMNA (0.41) ADRA2AADRA2CADRA1AADRB2ADRA2B
SCHEMBL12958049 0.69 KDM4E (0.53) ADRA2AADRA2CADRA1AADRB1KDM4E
SCHEMBL9089541 0.69 ADRA1A (0.55) ADRA2AADRA2CADRA1AADRB2ADRA2B
SCHEMBL9089549 0.69 ADRA1A (0.55) ADRA2AADRA2CADRA1AADRB2ADRA2B
SCHEMBL11851290 0.69 ADRB2 (1.00) ADRA2AADRA2CADRA1AADRB2ADRA2B
SCHEMBL11406743 0.68 GABRA1 (0.58) ADRA2AADRA2CADRA1AADRB1KDM4E
SCHEMBL27472717 0.68 ADRA2A (0.55) ADRA2AADRA2CADRA1AADRB2ADRA2B

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-5527830-A Drugs for the treatment of cardiac arrest and other shock states THE OHIO STATE UNIVERSITY (US) 1996-06-18 — — US claimed
US-5527830-A Drugs for the treatment of cardiac arrest and other shock states THE OHIO STATE UNIVERSITY (US) 1996-06-18 — — US disclosed
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