SCHEMBL13626527

SCHEMBL13626527

Cc1cccc2c1CC(C(=O)Nc1ccc(C(=N)N(C)C)cc1)N(C(=O)Nc1ccc(Cl)cc1)C2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CFTR P13569 9/20 0.46
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 1/20 0.40
F10 P00742 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
CCR1 P32246 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
SCHEMBL13626503 0.88 CFTR (0.56) CFTRLMNAPKMMAPTF10
SCHEMBL13626525 0.86 CFTR (0.45) CFTRLMNAPKMMAPTTAS1R3
SCHEMBL13626543 0.82 CFTR (0.41) CFTRLMNAPKMF10CCR1
SCHEMBL13626534 0.80 CFTR (0.49) CFTRMAPTF10
SCHEMBL13626522 0.79 CFTR (0.40) CFTRF10TAS1R3TAS1R1TAS1R2
SCHEMBL13626501 0.75 CFTR (0.59) CFTRLMNAPKM
SCHEMBL8282294 0.75 F10 (0.55) MAPTF10MEN1KMT2ACCR1
SCHEMBL13626492 0.72 CFTR (0.55) CFTRLMNAPKMMAPTF10
SCHEMBL13626502 0.70 LMNA (0.58) CFTRLMNAPKMF10TAS1R3
SCHEMBL13626517 0.70 CFTR (0.50) CFTRLMNAPKMMAPTTAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612089-B2 Tetrahydroisoquinolines as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
US-7612089-B2 Tetrahydroisoquinolines as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed