SCHEMBL8099752

SCHEMBL8099752

CCCCc1cccc(Cc2ccc(Cc3ccccc3)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
CALM1 P0DP23 1/20 0.46
LPL P06858 2/20 0.46
LIPG Q9Y5X9 2/20 0.46
SKP2 Q13309 1/20 0.46
IDH1 O75874 1/20 0.46
FDFT1 P37268 1/20 0.46
PSMB5 P28074 1/20 0.44
DRD2 P14416 2/20 0.44
OPRM1 P35372 2/20 0.44
DRD3 P35462 2/20 0.44
OPRD1 P41143 2/20 0.44
OPRK1 P41145 2/20 0.44
HSD11B1 P28845 1/20 0.44
XIAP P98170 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
SCHEMBL8094986 0.96 LPL (0.49) MTNR1AMTNR1BLPLLIPGSKP2
SCHEMBL8094151 0.94 LPL (0.53) MTNR1AMTNR1BLPLLIPG
SCHEMBL8095725 0.93 LPL (0.54) MTNR1AMTNR1BLPLLIPG
SCHEMBL8093587 0.93 LPL (0.54) MTNR1AMTNR1BLPLLIPG
SCHEMBL8096294 0.93 LPL (0.54) MTNR1AMTNR1BLPLLIPG
SCHEMBL10106221 0.92 LPL (0.54) MTNR1AMTNR1BCALM1LPLLIPG
SCHEMBL5433566 0.92 LPL (0.52) MTNR1AMTNR1BLPLLIPGSKP2
SCHEMBL4077078 0.91 LPL (0.56) MTNR1AMTNR1BLPLLIPGDRD2
SCHEMBL8095304 0.90 LPL (0.56) LPLLIPG
SCHEMBL8085699 0.89 LPL (0.57) LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708077-B1 Diamino compounds and methods for preparing them CHISSO CORP (JP) 2000-12-27 EP disclosed
US-5663440-A Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1997-09-02 US disclosed
EP-0708077-A1 Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1996-04-24 EP disclosed