SCHEMBL13626542

SCHEMBL13626542

CN1CCN=C1c1ccc(NC(=O)C2c3ccccc3CN2C(=O)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
RECQL P46063 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
PPARD Q03181 1/20 0.41
XIAP P98170 4/20 0.40
F11 P03951 4/20 0.39
NAMPT P43490 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37

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
SCHEMBL13626481 0.85 CFTR (0.49) F10MEN1KMT2AGAATAS1R3
SCHEMBL13626490 0.85 CFTR (0.49) F10MEN1KMT2AGAATAS1R3
SCHEMBL13626484 0.85 CFTR (0.49) F10MEN1KMT2AGAATAS1R3
SCHEMBL13626522 0.80 CFTR (0.40) F10MEN1KMT2AGAATAS1R3
SCHEMBL3828864 0.78 CCR1 (0.53)
SCHEMBL13626535 0.78 LHCGR (0.39) F10
SCHEMBL13626536 0.78 F10 (0.42) F10MEN1KMT2AGAA
SCHEMBL13626544 0.78 TAS1R3 (0.43) MEN1KMT2AGAARECQLTAS1R3
SCHEMBL13626545 0.77 F10 (0.49) F10MEN1KMT2AGAARECQL
SCHEMBL8282298 0.77 F10 (0.57) F10MEN1KMT2A

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