SCHEMBL9659792

SCHEMBL9659792

CCNc1nc2c(c(-c3ccc(Cl)cc3)n1)CN(Cc1ccccc1)CC2

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CLPP Q16740 7/20 0.52
▸ C5AR1 P21730 1/20 0.50
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ AKT1 P31749 2/20 0.47
▸ MYLK Q15746 2/20 0.47
▸ MAPK14 Q16539 2/20 0.47
▸ ACHE P22303 1/20 0.44
▸ GPBAR1 Q8TDU6 1/20 0.43

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
SCHEMBL9659657 0.89 CLPP (0.39) CLPPC5AR1MEN1KMT2AGPBAR1
SCHEMBL9659722 0.84 CLPP (0.37) CLPPC5AR1MEN1KMT2AAKT1
SCHEMBL9659999 0.79 KCNK3 (0.46) GPBAR1
SCHEMBL115543 0.77 AKT1 (0.51) CLPPC5AR1MEN1KMT2AAKT1
Hydrochloric Acid SCHEMBL9658330 0.72 HTR2A (0.52) —
Water SCHEMBL9660219 0.72 HTR2A (0.52) —
Water SCHEMBL9660223 0.72 HTR2A (0.52) —
SCHEMBL116437 0.71 ALDH1A1 (0.51) CLPPC5AR1MEN1KMT2AAKT1
SCHEMBL2341043 0.71 HTR2A (0.57) CLPPKMT2AACHE
SCHEMBL115542 0.71 LMNA (0.50) CLPPC5AR1MEN1KMT2AAKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5137890-A Gastrointestinal disorders, antiulcer agents ORTHO PHARMACEUTICAL CORPORATION (US) 1992-08-11 — — US disclosed
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