SCHEMBL13626533

SCHEMBL13626533

COc1cc2c(cc1OC)CN(C(=O)Nc1ccc(Cl)cc1)[C@H](C(=O)Nc1ccc(C(=N)N3CCCC3)cc1)C2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
CFTR P13569 4/20 0.46
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
THRB P10828 1/20 0.41
EP300 Q09472 1/20 0.40
CREBBP Q92793 1/20 0.40
F10 P00742 1/20 0.40

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
SCHEMBL13626534 0.86 CFTR (0.49) SMN1; SMN2CFTRMAPTF10
SCHEMBL13626492 0.86 CFTR (0.55) CFTRMAPTF10
SCHEMBL13626525 0.81 CFTR (0.45) CFTRMAPTL3MBTL1TSHRALDH1A1
SCHEMBL13626532 0.78 SMN1; SMN2 (0.45) SMN1; SMN2CFTRMAPTTSHRPDE4B
SCHEMBL13626502 0.76 LMNA (0.58) CFTRF10
SCHEMBL13626503 0.72 CFTR (0.56) CFTRMAPTF10
SCHEMBL12134285 0.69 F10 (0.59) MAPTALDH1A1F10
SCHEMBL10181196 0.69 F10 (0.55) ALDH1A1F10
SCHEMBL12134196 0.69 F10 (0.57) SMN1; SMN2F10
SCHEMBL10180964 0.69 F10 (0.54) ALDH1A1F10

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