SCHEMBL9684213

SCHEMBL9684213

CC(=O)NCCc1cccc2c1[CH]c1ccccc1-2

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 0.51
MTNR1B P49286 13/20 0.51
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
NQO2 P16083 5/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 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
SCHEMBL219160 0.75 NR1H2 (0.34)
SCHEMBL218358 0.74 GABRA1 (0.40) LMNA
SCHEMBL3072431 0.73 MTNR1A (0.61) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL5988458 0.73 MTNR1A (0.65) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL8229644 0.73 MTNR1A (0.65) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL215717 0.72 NR1H2 (0.42)
SCHEMBL2965774 0.72 TDP1 (0.34)
SCHEMBL5987986 0.72 MTNR1A (0.63) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL8851523 0.72 MTNR1A (0.63) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL1011062 0.72 MTNR1A (0.63) MTNR1AMTNR1BMEN1LMNACYP1A2

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-0518769-A1 Ethanolaminebenzoate derivative, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-12-16 EP disclosed