SCHEMBL2853850

SCHEMBL2853850

CC=CCC(C)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
LMNA P02545 1/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
LTA4H P09960 1/20 0.36
POLB P06746 1/20 0.36
HTR2A P28223 3/20 0.35
KDM4E B2RXH2 1/20 0.35
SLC6A4 P31645 1/20 0.35
MAOA P21397 1/20 0.34
PTGS1 P23219 1/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL1454571 0.84 MTNR1A (0.47) MTNR1AMTNR1BLMNACHRNB4CHRNA3
SCHEMBL27526890 0.83 MTNR1A (0.44) MTNR1AMTNR1BLMNACHRNB4CHRNA3
SCHEMBL51170 0.80 MTNR1A (0.41) MTNR1AMTNR1BLMNACHRNB4CHRNA3
SCHEMBL11516903 0.78 MTNR1A (0.46) MTNR1AMTNR1BLMNACHRNB4CHRNA3
SCHEMBL4633428 0.78 MTNR1A (0.46) MTNR1AMTNR1BLMNACHRNB4CHRNA3
SCHEMBL8733440 0.78 MTNR1A (0.50) MTNR1AMTNR1BLMNACHRNB4CHRNA3
SCHEMBL9870637 0.74 MTNR1A (0.53) MTNR1AMTNR1BLMNACHRNB4CHRNA3
SCHEMBL9870647 0.74 MTNR1A (0.53) MTNR1AMTNR1BLMNACHRNB4CHRNA3
SCHEMBL21985789 0.74 RCE1 (0.46) HTR2A
SCHEMBL1455296 0.73 MTNR1A (0.45) MTNR1AMTNR1BLMNACHRNB4CHRNA3

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-1948671-B1 PREPARATION OF CATALYSTS BOEHRINGER INGELHEIM INT (DE) 2010-09-29 EP disclosed