SCHEMBL6980587

SCHEMBL6980587

Cc1cc(N2CCC=C(c3ccccc3)C2)nc(Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 3/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 2/20 0.44
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
GAA P10253 2/20 0.39
HSP90AA1 P07900 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL6981972 0.85 MAPT (0.39) LMNAMAPTKDM4ETSHRMAPK1
SCHEMBL6980777 0.81 MAPT (0.45) LMNAMAPTKDM4ETSHRMAPK1
SCHEMBL6998175 0.76 GRIN2D (0.67) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL31647387 0.74 MAPT (0.67) LMNAMAPTKDM4ETSHRMAPK1
SCHEMBL27475432 0.71 SLC2A1 (0.39) LMNAMAPTKDM4ETSHRMAPK1
SCHEMBL31646673 0.69 ALDH1A1 (0.46) LMNAMAPTKDM4ETSHRMAPK1
SCHEMBL3405363 0.69 CRHBP (0.61) LMNAKDM4ETSHRMAPK1HSD17B10
SCHEMBL9884924 0.68 EGFR (0.61) LMNAMAPTKDM4ETSHRMAPK1
SCHEMBL2531188 0.68 KMT2A (0.68) MAPTKDM4ETSHRGAATDP1
SCHEMBL3410886 0.68 CRHBP (0.64) LMNAKDM4ETSHRMAPK1HSD17B10

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-0976745-B1 4-TETRAHYDROPYRIDYLPYRIMIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2003-08-13 EP disclosed
US-6187781-B1 CORTICOTROPIN RELEASING FACTOR RECEPTOR ANTAGONISTS; ALZHEIMER*S, HUNTINGTON, AND PARKINSON DISEASE; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2001-02-13 US disclosed
EP-0976745-A1 4-TETRAHYDROPYRIDYLPYRIMIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2000-02-02 EP disclosed