SCHEMBL13626543

SCHEMBL13626543

CN(C)C(=N)c1ccc(NC(=O)C2Cc3sccc3CN2C(=O)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CFTR P13569 8/20 0.41
F10 P00742 2/20 0.41
LHCGR P22888 2/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
CCR1 P32246 2/20 0.38

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) CFTRF10LMNAPKM
SCHEMBL13626534 0.82 CFTR (0.49) CFTRF10
SCHEMBL13626527 0.82 CFTR (0.46) CFTRF10LMNAPKMCCR1
SCHEMBL13626535 0.79 LHCGR (0.39) CFTRF10LHCGRCCR1
SCHEMBL13626540 0.78 F10 (0.47) F10LHCGRLMNA
SCHEMBL8282294 0.77 F10 (0.55) F10CCR1
SCHEMBL13626501 0.71 CFTR (0.59) CFTRLMNAPKM
SCHEMBL13626492 0.70 CFTR (0.55) CFTRF10LMNAPKM
SCHEMBL13626525 0.68 CFTR (0.45) CFTRLMNAPKM
SCHEMBL13626533 0.68 SMN1; SMN2 (0.49) 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