SCHEMBL8610098

SCHEMBL8610098

O=CCC(=O)CN(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
CACNA2D1 P54289 4/20 0.39
CACNA1B Q00975 4/20 0.39
CACNB1 Q02641 4/20 0.39
ALDH1A1 P00352 3/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
GLA P06280 1/20 0.37
TSHR P16473 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KCNH2 Q12809 1/20 0.37
MEN1 O00255 1/20 0.34
CYP3A4 P08684 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
SCHEMBL329646 0.83 NPSR1 (0.48) MTNR1AMTNR1BNPSR1CACNA2D1CACNA1B
SCHEMBL440156 0.74 NPSR1 (0.48) MTNR1AMTNR1BNPSR1CACNA2D1CACNA1B
SCHEMBL7621551 0.74 MTNR1A (0.49) MTNR1AMTNR1BNPSR1CACNA2D1CACNA1B
SCHEMBL9342350 0.73 NPC1 (0.37) NPSR1ALDH1A1HTTKMT2ANPC1
Water SCHEMBL28256553 0.73 NPSR1 (0.46) MTNR1AMTNR1BNPSR1CACNA2D1CACNA1B
SCHEMBL28835036 0.72 ALDH1A1 (0.59) NPSR1CACNA2D1CACNA1BCACNB1ALDH1A1
SCHEMBL374605 0.71 MTNR1A (0.53) MTNR1AMTNR1BNPSR1CACNA2D1CACNA1B
SCHEMBL1561383 0.71 NPSR1 (0.44) MTNR1AMTNR1BNPSR1CACNA2D1CACNA1B
SCHEMBL28104922 0.70 MTNR1A (0.41) MTNR1AMTNR1BCACNA2D1CACNA1BCACNB1
SCHEMBL7230081 0.70 ALDH1A1 (0.42) MTNR1AMTNR1BNPSR1ALDH1A1HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0846130-A4 NATURAL RUBBER THREAD WITH LOW NITROSATABLE AMINES ADAM ROGER M (US) 1998-12-30 EP disclosed
EP-0846130-A1 NATURAL RUBBER THREAD WITH LOW NITROSATABLE AMINES Adam, Roger M. (US) 1998-06-10 EP disclosed
US-5753290-A VULCANIZED RUBBER LATEX GLOBE MANUFACTURING CO. (US) 1998-05-19 US disclosed
WO-1997008209-A1 NATURAL RUBBER THREAD WITH LOW NITROSATABLE AMINES ADAM ROGER M (US) 1997-03-06 WO disclosed