SCHEMBL7967295

SCHEMBL7967295

C[C@H](COc1ccc2c3c([nH]c2c1)CCCC3)NC[C@H](O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 7/20 0.40
ADRB1 P08588 6/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ADRB2 P07550 2/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL7981035 1.00 ADRB3 (0.40) ADRB3ADRB1KMT2AMEN1RAB9A
SCHEMBL7979049 1.00 ADRB3 (0.40) ADRB3ADRB1KMT2AMEN1RAB9A
SCHEMBL7980843 0.86 ADRB3 (0.48) ADRB3ADRB1LMNAMAPTADRB2
SCHEMBL7980842 0.86 ADRB3 (0.48) ADRB3ADRB1LMNAMAPTADRB2
SCHEMBL6914178 0.83 CTSV (0.43) ADRB3ADRB1KMT2AMEN1RAB9A
SCHEMBL7110854 0.83 CTSV (0.43) ADRB3ADRB1KMT2AMEN1RAB9A
SCHEMBL7110846 0.83 CTSV (0.43) ADRB3ADRB1KMT2AMEN1RAB9A
SCHEMBL7980850 0.82 ALOX15 (0.51) ADRB3ADRB1ALDH1A1ADRB2ADRA1A
SCHEMBL7967383 0.82 ALOX15 (0.51) ADRB3ADRB1ALDH1A1ADRB2ADRA1A
SCHEMBL7977145 0.82 ALOX15 (0.51) ADRB3ADRB1ALDH1A1ADRB2ADRA1A

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
US-6172099-B1 CARBAZOLE, DIBENZOFURAN, OR DIBENZOTHIOPHENE DERIVATIVES; DIETETICS, ANTIDIABETIC AGENTS; ANTILIPEMICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2001-01-09 US claimed
US-6172099-B1 CARBAZOLE, DIBENZOFURAN, OR DIBENZOTHIOPHENE DERIVATIVES; DIETETICS, ANTIDIABETIC AGENTS; ANTILIPEMICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2001-01-09 US disclosed
EP-0997458-A1 NOVEL TRICYCLIC COMPOUNDS HAVING SATURATED RINGS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-05-03 EP disclosed