SCHEMBL7740554

SCHEMBL7740554

CCNc1ncn(Cc2cc[n+]([O-])cc2)c2nc(C(C)C)nc1-2

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.32
SRC P12931 1/20 0.32
F2R P25116 1/20 0.31

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
SCHEMBL1388063 0.86 CTSL (0.42) CTSL
SCHEMBL1388094 0.85 YTHDC1 (0.40) CTSLSRCF2R
SCHEMBL1387909 0.85 KCNH2 (0.39) CTSLSRCF2R
Hydrochloric Acid SCHEMBL7030023 0.85 CTSL (0.41) CTSL
Hydrochloric Acid SCHEMBL7031630 0.84 YTHDC1 (0.39) CTSLSRCF2R
SCHEMBL7372968 0.84 ALDH1A1 (0.38) CTSL
SCHEMBL7380105 0.83 PLK1 (0.35)
SCHEMBL7379035 0.83 CTSL (0.41) CTSL
SCHEMBL7378986 0.81 YTHDC1 (0.45)
SCHEMBL1387987 0.80 SRC (0.41) SRC

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
US-6413975-B1 DISEASES WITH HIGH LEVELS OF INFLAMMATORY CYTOKINES; ASTHMA; ALLERGIES; INFLAMMATION; DEPRESSION; ALZHEIMER'S DISEASE; VASCULAR AND MULTI-IN-FARCT DEMENTIA EURO-CELTIQUE, S.A. (LU) 2002-07-02 US disclosed
US-6319928-B1 ASTHMA, ALLERGIES, INFLAMMATION,DEPRESSION, DEMENTIA, ALZHEIMER'S DISEASE, VASCULAR AND MULTI-IN-FARCT DEMENTIA AND DISEASE CAUSED BY HUMAN IMMUNODEFICIENCY VIRUS TREATMENT; EFFICIENCY AND SELECTIVITY EURO-CELTIQUE, S.A. (LU) 2001-11-20 US disclosed
US-6294541-B1 ENZYME INHIBITORS USING PURINE COMPOUNDS AS ANTIHISTAMINES EURO-CELTIQUE S.A. (LU) 2001-09-25 US disclosed