SCHEMBL27650809

SCHEMBL27650809

O=C(O)C(Cc1ccc2ccccc2c1)NCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.54
MME P08473 7/20 0.54
ACE P12821 6/20 0.54
CPA1 P15085 2/20 0.54
ACE2 Q9BYF1 2/20 0.54
CA2 P00918 1/20 0.51
PIN1 Q13526 2/20 0.48
KMT2A Q03164 1/20 0.48
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
CDC25B P30305 1/20 0.47
ALB P02768 1/20 0.47
IL2 P60568 1/20 0.47

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
SCHEMBL2008563 1.00 SIGMAR1 (0.54) SIGMAR1MMEACECPA1ACE2
SCHEMBL2888909 0.86 MME (0.56) MMEACECPA1ACE2CA2
SCHEMBL1060389 0.86 MME (0.56) MMEACECPA1ACE2CA2
SCHEMBL27699637 0.85 MME (0.56) SIGMAR1MMEACECPA1ACE2
SCHEMBL27699635 0.85 MME (0.56) SIGMAR1MMEACECPA1ACE2
SCHEMBL1097466 0.84 MME (0.57) MMEACECPA1ACE2CA2
SCHEMBL7889581 0.83 MME (0.62) MMEACECPA1ACE2CA2
SCHEMBL839945 0.83 MME (0.62) MMEACECPA1ACE2CA2
SCHEMBL18435514 0.83 MME (0.62) MMEACECPA1ACE2CA2
SCHEMBL11241144 0.83 MME (0.56) MMEACECPA1ACE2CA2

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
CN-1816337-A Naphthalene-containing melanocortin receptor-specific small molecule PALATIN TECHNOLOGIES INC (US) 2006-08-09 CN disclosed