SCHEMBL13626532

SCHEMBL13626532

COc1cc2c(cc1OC)CN(C(=O)Nc1ccc(Cl)cc1)C(C(=O)Nc1ccc(C3=NCCN3C)cc1)C2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
CFTR P13569 4/20 0.43
MAPT P10636 1/20 0.42
KMT2A Q03164 2/20 0.41
PDE4B Q07343 1/20 0.41
ABCB1 P08183 1/20 0.39
F10 P00742 1/20 0.39
TSHR P16473 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR6 P50406 1/20 0.39
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 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
SCHEMBL13626536 0.88 F10 (0.42) CFTRMAPTKMT2AF10
SCHEMBL13626481 0.87 CFTR (0.49) CFTRMAPTKMT2AF10
SCHEMBL13626490 0.87 CFTR (0.49) CFTRMAPTKMT2AF10
SCHEMBL13626484 0.87 CFTR (0.49) CFTRMAPTKMT2AF10
SCHEMBL13626535 0.83 LHCGR (0.39) CFTRF10
SCHEMBL13626522 0.82 CFTR (0.40) CFTRKMT2AF10
SCHEMBL13626534 0.79 CFTR (0.49) SMN1; SMN2CFTRMAPTF10
SCHEMBL3828864 0.79 CCR1 (0.53) TSHR
SCHEMBL13626533 0.78 SMN1; SMN2 (0.49) SMN1; SMN2CFTRMAPTPDE4BF10
SCHEMBL8282298 0.77 F10 (0.57) MAPTKMT2AF10

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