SCHEMBL21157262

SCHEMBL21157262

COc1cccc(CCC(=N)OC(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.54
MTNR1A P48039 2/20 0.51
MTNR1B P49286 2/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
RAB9A P51151 1/20 0.51
GAA P10253 1/20 0.49
CYP1A2 P05177 1/20 0.49
ALDH1A1 P00352 1/20 0.48
CTBP2 P56545 1/20 0.48

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
SCHEMBL21157862 0.85 CTBP2 (0.57) TAAR1MTNR1AMTNR1BRAB9ACYP1A2
SCHEMBL346302 0.82 FFAR1 (0.65) TAAR1MTNR1AMTNR1BHDAC1HDAC6
SCHEMBL7979541 0.80 HDAC1 (0.57) TAAR1MTNR1AMTNR1BHDAC1HDAC6
SCHEMBL13545161 0.80 MTNR1A (0.61) TAAR1MTNR1AMTNR1BHDAC1HDAC6
SCHEMBL7332474 0.80 TAAR1 (0.61) TAAR1MTNR1AMTNR1BHDAC1HDAC6
SCHEMBL21157247 0.79 FFAR1 (0.50) TAAR1RAB9AALDH1A1
SCHEMBL268552 0.79 RAB9A (0.69) TAAR1MTNR1AMTNR1BHDAC1HDAC6
SCHEMBL27628173 0.78 RAB9A (0.69) TAAR1MTNR1AMTNR1BHDAC1HDAC6
SCHEMBL3257076 0.77 HDAC1 (0.57) TAAR1MTNR1AMTNR1BHDAC1HDAC6
SCHEMBL63100 0.77 HDAC1 (0.61) TAAR1MTNR1AMTNR1BHDAC1HDAC6

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-2019135604-A1 METHOD FOR PRODUCING LACTAM COMPOUND, AND LACTAM COMPOUND PRODUCED THEREBY 기초과학연구원 2019-07-11 WO disclosed