SCHEMBL13626534

SCHEMBL13626534

COc1cc2c(cc1OC)CN(C(=O)Nc1ccc(Cl)cc1)[C@H](C(=O)Nc1ccc(C(=N)N(C)C)cc1)C2

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CFTR P13569 10/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 1/20 0.44
F10 P00742 3/20 0.42

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 0.86 CFTR (0.56) CFTRMAPTF10
SCHEMBL13626533 0.86 SMN1; SMN2 (0.49) CFTRSMN1; SMN2MAPTF10
SCHEMBL13626543 0.82 CFTR (0.41) CFTRF10
SCHEMBL13626527 0.80 CFTR (0.46) CFTRMAPTF10
SCHEMBL13626532 0.79 SMN1; SMN2 (0.45) CFTRSMN1; SMN2MAPTF10
SCHEMBL8282294 0.75 F10 (0.55) MAPTF10
SCHEMBL13626501 0.74 CFTR (0.59) CFTR
SCHEMBL13626492 0.70 CFTR (0.55) CFTRMAPTF10
SCHEMBL3933163 0.68 CFTR (0.82) CFTR
SCHEMBL13626502 0.68 LMNA (0.58) CFTRF10

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