SCHEMBL7658223

SCHEMBL7658223

COc1cccc(C(CCCCCCc2ccccc2)CNC(=O)Cc2c(Cl)cncc2Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.52
MTNR1B P49286 5/20 0.52
KMT2A Q03164 2/20 0.43
PDE4D Q08499 1/20 0.42
P2RX7 Q99572 2/20 0.41
BCHE P06276 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MEN1 O00255 1/20 0.40
FAAH O00519 1/20 0.40
USP2 O75604 1/20 0.39

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
SCHEMBL7411156 1.00 MTNR1A (0.52) MTNR1AMTNR1BKMT2APDE4DP2RX7
SCHEMBL7653203 0.85 MTNR1A (0.51) MTNR1AMTNR1BPDE4D
SCHEMBL7658025 0.83 MTNR1A (0.53) MTNR1AMTNR1BPDE4DP2RX7CA1
SCHEMBL7408317 0.82 MTNR1A (0.51) MTNR1AMTNR1BPDE4DBCHE
SCHEMBL7377866 0.82 MTNR1A (0.48) MTNR1AMTNR1BKMT2APDE4DP2RX7
SCHEMBL7655794 0.82 ALDH1A1 (0.45) MTNR1AMTNR1BPDE4DRAB9AL3MBTL1
SCHEMBL7655897 0.78 MTNR1A (0.45) MTNR1AMTNR1BP2RX7
SCHEMBL7656731 0.78 MTNR1A (0.43) MTNR1AMTNR1BKMT2APDE4DMEN1
SCHEMBL7405335 0.71 CASR (0.47) MTNR1AMTNR1BKMT2AL3MBTL1
SCHEMBL7413751 0.71 CASR (0.47) MTNR1AMTNR1BKMT2AL3MBTL1

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
US-6358973-B1 FOR THERAPY OF ALLERGIC OR INFLAMMATORY DISEASE ZAMBON GROUP S.P.A. (IT) 2002-03-19 US disclosed