SCHEMBL24322987

SCHEMBL24322987

C=C(CCNC)C(=O)NCCC1CNc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
HPGD P15428 1/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NLRP3 Q96P20 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL24323074 0.87 MTNR1A (0.34) MTNR1AMTNR1BHPGDKDM4ENLRP3
SCHEMBL1488694 0.80 HTR2A (0.46) HTR2AHRH1KDM4E
SCHEMBL19520637 0.79 MTNR1A (0.54) MTNR1AMTNR1BHPGD
SCHEMBL23882069 0.78 MTNR1A (0.40) MTNR1AMTNR1BHPGD
SCHEMBL23732696 0.74
SCHEMBL13786398 0.73 HDAC6 (0.47)
SCHEMBL20505740 0.73 EPHX2 (0.50) MTNR1AMTNR1B
SCHEMBL29572544 0.73 EPHX2 (0.50) MTNR1AMTNR1B
SCHEMBL24324570 0.73
SCHEMBL13786386 0.72 HDAC6 (0.49)

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-3452453-B1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2022-04-13 EP disclosed