SCHEMBL14344795

SCHEMBL14344795

CC(=N)N(C)Cc1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.56
▸ GAA P10253 1/20 0.52
▸ TSHR P16473 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ PYCR1 P32322 1/20 0.51
▸ HTR3E A5X5Y0 3/20 0.50
▸ HTR3B O95264 3/20 0.50
▸ HTR3A P46098 3/20 0.50
▸ HTR3D Q70Z44 3/20 0.50
▸ HTR3C Q8WXA8 3/20 0.50
▸ TAAR1 Q96RJ0 3/20 0.50
▸ AOC3 Q16853 4/20 0.48
▸ IDO1 P14902 2/20 0.46
▸ PNMT P11086 2/20 0.44
▸ NPC1 O15118 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
SCHEMBL17887629 0.85 RIPK1 (0.58) RIPK1GAATSHRRECQLPYCR1
SCHEMBL9824208 0.83 RIPK1 (0.64) RIPK1GAATSHRRECQLPYCR1
SCHEMBL11833347 0.82 RIPK1 (0.52) RIPK1GAATSHRRECQLPYCR1
SCHEMBL14366449 0.79 GRIN2D (0.42) RIPK1AOC3NPC1
SCHEMBL13769106 0.78 ALDH1A1 (0.58) PYCR1AOC3IDO1NPC1
SCHEMBL8290710 0.77 TAAR1 (0.66) RIPK1GAATSHRRECQLPYCR1
SCHEMBL10282498 0.77 NPC1 (0.57) RIPK1TSHRAOC3NPC1
SCHEMBL30798978 0.77 TAAR1 (0.66) RIPK1GAATSHRRECQLPYCR1
SCHEMBL28133372 0.77 RIPK1 (0.48) RIPK1GAATSHRRECQLPYCR1
SCHEMBL17278345 0.77 RIPK1 (0.61) RIPK1GAATSHRRECQLPYCR1

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-7312235-B2 Benzamide inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-12-25 — — US disclosed
Send feedback