SCHEMBL9015449

SCHEMBL9015449

NCCCCCNC(=O)C(Cc1ccc(N)cc1)C(=O)NCCN

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRND Q07001 6/20 0.48
CHRNA1 P02708 2/20 0.48
CHRNG P07510 2/20 0.48
CHRNB1 P11230 2/20 0.48
GRIA1 P42261 5/20 0.46
MMP8 P22894 1/20 0.46

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
SCHEMBL6893492 0.91 MMP8 (0.46) MMP8
SCHEMBL24001222 0.73 GRIA1 (0.62) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL8829950 0.73 LMNA (0.49)
SCHEMBL14371370 0.73 GRIA1 (0.62) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL8914296 0.72 DPP7 (0.55) GRIA1
SCHEMBL24572013 0.71 MMP2 (0.61) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL26018582 0.71 TRPV1 (0.61)
SCHEMBL9436164 0.69 TRPV1 (0.63)
SCHEMBL4445755 0.69 CHRNA1 (0.55) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL14269025 0.68 LDHA (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5489425-A RHODIUM COMPLEXES ATTACHED TO ANTIBODY OR FAB FRAGMENTS FOR THERAPY OR MEDICAL DIAGNOSIS; ANTICARCINOGENIC AND -TUMOR AGENTS; RADIOLOGY; IMMUNOLOGY THE DOW CHEMICAL COMPANY (US) 1996-02-06 US disclosed
US-5284644-A Anticancer agent; therapy and diagnosis DOW CHEMICAL COMPANY, THE 1994-02-08 US disclosed