SCHEMBL6981972

SCHEMBL6981972

Cc1cc(N2CCC=C(c3ccccc3C)C2)nc(Cl)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
KDM4E B2RXH2 7/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 3/20 0.38
LMNA P02545 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
USP2 O75604 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
CHRM1 P11229 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36

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
SCHEMBL6980587 0.85 LMNA (0.44) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6998175 0.71 GRIN2D (0.67) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL31647387 0.69 MAPT (0.67) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6980777 0.68 MAPT (0.45) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3405363 0.67 CRHBP (0.61) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL2531188 0.67 KMT2A (0.68) MAPTKDM4EALDH1A1HPGDTDP1
SCHEMBL3410886 0.66 CRHBP (0.64) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL31646673 0.65 ALDH1A1 (0.46) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9884923 0.65 HRH4 (0.64) KDM4EHSD17B10NPSR1KMT2A
SCHEMBL8334429 0.65 GSK3B (0.54)

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