SCHEMBL6675153

SCHEMBL6675153

COc1ccc(N)cc1CCNC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
TAAR1 Q96RJ0 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.43

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
SCHEMBL26622064 0.84 MTNR1A (0.54) MTNR1AMTNR1BTAAR1
SCHEMBL27002039 0.84 MTNR1A (0.66) MTNR1AMTNR1BTAAR1
SCHEMBL7246127 0.82 NQO2 (0.48) MTNR1AMTNR1B
SCHEMBL11290858 0.81 TAAR1 (0.41) TAAR1ALDH1A1HPGD
SCHEMBL16428954 0.81 SMN1; SMN2 (0.44) MTNR1AMTNR1BTAAR1
SCHEMBL11376820 0.80 ALDH1A1 (0.50) TAAR1ALDH1A1HPGD
SCHEMBL8550870 0.79 ADRA1A (0.45) MTNR1AMTNR1BTAAR1ALDH1A1
SCHEMBL11896371 0.78 MTNR1A (0.77) MTNR1AMTNR1BTAAR1ALDH1A1HPGD
SCHEMBL443057 0.78 MTNR1A (0.51) MTNR1AMTNR1BALDH1A1HPGD
SCHEMBL1531286 0.78 ALDH1A1 (0.54) MTNR1AMTNR1BALDH1A1HPGD

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
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP disclosed