SCHEMBL7273080

SCHEMBL7273080

CC(C)N1CCN(c2nc(N)c(-c3cc(Cl)cc(Cl)c3)c(C(F)(F)F)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.40
HTR7 P34969 6/20 0.40
HTR6 P50406 6/20 0.40
HTR2A P28223 5/20 0.40
ALK Q9UM73 1/20 0.37
HRH4 Q9H3N8 3/20 0.37
HTR3A P46098 1/20 0.37
PTPN11 Q06124 2/20 0.36
PIK3CA P42336 1/20 0.36
ATF1 P18846 1/20 0.35
NFKB1 P19838 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
KCNK2 O95069 1/20 0.34
SCN2A Q99250 1/20 0.34
BRAF P15056 1/20 0.34
MAPK14 Q16539 1/20 0.33

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
SCHEMBL7273354 0.87 HRH4 (0.50) DRD2HTR7HTR6HTR2AHRH4
SCHEMBL7271093 0.84 LMNA (0.39) DRD2HTR7HTR6HTR2AHRH4
SCHEMBL7282498 0.82 HRH3 (0.39) DRD2HTR7HTR6HTR2AHRH4
SCHEMBL7282241 0.82 MTOR (0.48) PIK3CA
SCHEMBL7282299 0.78 LMNA (0.39) DRD2HTR7HTR6HTR2APTPN11
SCHEMBL136405 0.71 KCNK2 (0.61) DRD2HTR7HTR6HTR2AHRH4
SCHEMBL7272544 0.71 ALDH1A1 (0.41) HTR2A
SCHEMBL6049488 0.69 HRH4 (0.54) DRD2HTR7HTR6HTR2AHRH4
SCHEMBL8842601 0.67 PIK3CA (0.46) PIK3CAKCNK2SCN2A
SCHEMBL5070744 0.66 KCNK2 (0.54) DRD2HTR7HTR6HTR2AHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0679645-A1 Pharmacologically active CNS pyridmidin compounds THE WELLCOME FOUNDATION LIMITED (GB) 1995-11-02 EP claimed
EP-0459819-A2 Pharmacologically active CNS compound THE WELLCOME FOUNDATION LIMITED (GB) 1991-12-04 EP claimed
EP-0679645-A1 Pharmacologically active CNS pyridmidin compounds THE WELLCOME FOUNDATION LIMITED (GB) 1995-11-02 EP disclosed
EP-0459819-A2 Pharmacologically active CNS compound THE WELLCOME FOUNDATION LIMITED (GB) 1991-12-04 EP disclosed