SCHEMBL13626567

SCHEMBL13626567

O=C(Nc1ccc(-n2ccccc2=O)cc1)[C@H]1Cc2ccccc2CN1C(=O)Nc1ccc(Cl)s1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.52
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
CFTR P13569 2/20 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
SCHEMBL13626552 0.87 F10 (0.61) F10CFTR
SCHEMBL13626553 0.87 F10 (0.61) F10CFTR
SCHEMBL13626565 0.83 F10 (0.56) F10LMNAPKMCFTR
SCHEMBL13626569 0.81 LMNA (0.43) F10LMNAPKMPOLBCYP3A4
SCHEMBL13626556 0.79 F10 (0.55) F10CFTR
SCHEMBL4605676 0.78 F10 (0.76) F10
SCHEMBL4604418 0.77 F10 (0.78) F10
SCHEMBL4606847 0.77 F10 (0.78) F10
SCHEMBL4605212 0.72 F10 (0.54) F10
SCHEMBL4606642 0.72 F10 (0.54) F10

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