SCHEMBL7110846

SCHEMBL7110846

CC(COc1ccc2c(c1)[nH]c1ccccc12)NC[C@H](O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
ADRB3 P13945 8/20 0.43
KIF11 P52732 3/20 0.42
ADRB1 P08588 6/20 0.42
ADRB2 P07550 4/20 0.42
DNM1 Q05193 1/20 0.41
RAB9A P51151 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRA6 Q16445 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6914178 1.00 CTSV (0.43) CTSVCTSLADRB3KIF11ADRB1
SCHEMBL7110854 1.00 CTSV (0.43) CTSVCTSLADRB3KIF11ADRB1
SCHEMBL6911748 0.86 ADRB3 (0.51) ADRB3ADRB1ADRB2
SCHEMBL6911743 0.86 ADRB3 (0.51) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL7110453 0.85 ADRB3 (0.51) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL7110456 0.85 ADRB3 (0.51) ADRB3ADRB1ADRB2
SCHEMBL7967295 0.83 ADRB3 (0.40) ADRB3ADRB1ADRB2RAB9AMEN1
SCHEMBL7979049 0.83 ADRB3 (0.40) ADRB3ADRB1ADRB2RAB9AMEN1
SCHEMBL7981035 0.83 ADRB3 (0.40) ADRB3ADRB1ADRB2RAB9AMEN1
SCHEMBL6905931 0.80 ALOX15 (0.54) CTSVCTSLADRB3ADRB1ADRB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882707-B1 NOVEL TRICYCLIC COMPOUNDS AND DRUG COMPOSITIONS CONTAINING THE SAME ASAHI CHEMICAL IND (JP) 2003-10-08 EP claimed
US-6037362-A CARBAZOLE DERIVATIVES; DEPROTECTING, AMINATION; ANTILIPEMIC AND ANTIDIABETIC AGENTS; B-ADRENALINE RECEPTOR AGONISTS; DIETETICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2000-03-14 US claimed
EP-0882707-A1 NOVEL TRICYCLIC COMPOUNDS AND DRUG COMPOSITIONS CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1998-12-09 EP claimed