SCHEMBL13626515

SCHEMBL13626515

O=C(Nc1ccc(C(=O)N2CCOC2)cc1)C1Cc2ccccc2CN1C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
PKM P14618 1/20 0.53
CFTR P13569 6/20 0.53
F10 P00742 2/20 0.53
NAMPT P43490 6/20 0.50
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL13626502 0.88 LMNA (0.58) LMNAPKMCFTRF10NAMPT
SCHEMBL13626514 0.84 LMNA (0.53) LMNAPKMCFTRF10NAMPT
SCHEMBL13626492 0.80 CFTR (0.55) LMNAPKMCFTRF10NAMPT
SCHEMBL13626511 0.79 F10 (0.70) CFTRF10
SCHEMBL13626503 0.77 CFTR (0.56) LMNAPKMCFTRF10MEN1
SCHEMBL4558064 0.76 TAS1R3 (0.60) LMNAPKMCFTRMEN1GAA
SCHEMBL13626553 0.74 F10 (0.61) CFTRF10
SCHEMBL13626552 0.74 F10 (0.61) CFTRF10
SCHEMBL3922223 0.74 CFTR (0.69) LMNAPKMCFTR
SCHEMBL13626560 0.73 F10 (0.52) LMNAPKMCFTRF10MEN1

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