SCHEMBL7979541

SCHEMBL7979541

COc1cccc(CCC([NH])=O)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
TAAR1 Q96RJ0 1/20 0.57
MTNR1A P48039 2/20 0.56
MTNR1B P49286 2/20 0.56
CHRM2 P08172 1/20 0.54
CHRM1 P11229 1/20 0.54
CHRM3 P20309 1/20 0.54
MMP13 P45452 1/20 0.54
RAB9A P51151 1/20 0.54

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
SCHEMBL7332474 0.86 TAAR1 (0.61) HDAC1HDAC6TAAR1MTNR1AMTNR1B
SCHEMBL268552 0.85 RAB9A (0.69) HDAC1HDAC6TAAR1MTNR1AMTNR1B
SCHEMBL346302 0.85 FFAR1 (0.65) HDAC1HDAC6TAAR1MTNR1AMTNR1B
SCHEMBL3257076 0.83 HDAC1 (0.57) HDAC1HDAC6TAAR1MTNR1AMTNR1B
SCHEMBL13545161 0.83 MTNR1A (0.61) HDAC1HDAC6TAAR1MTNR1AMTNR1B
SCHEMBL63100 0.83 HDAC1 (0.61) HDAC1HDAC6TAAR1MTNR1AMTNR1B
SCHEMBL660540 0.83 TAAR1 (0.62) HDAC1HDAC6TAAR1MTNR1AMTNR1B
SCHEMBL4684338 0.83 CTBP2 (0.60) TAAR1MTNR1AMTNR1BMMP13
Hydrochloric Acid SCHEMBL29194802 0.82 TAAR1 (0.60) HDAC1HDAC6TAAR1MTNR1AMTNR1B
SCHEMBL18089044 0.81 HDAC1 (0.62) HDAC1HDAC6MTNR1AMTNR1BCHRM2

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
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 WO disclosed