SCHEMBL13626536

SCHEMBL13626536

CN1CCN=C1c1ccc(NC(=O)C2Cc3cc(O)ccc3CN2C(=O)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.42
PRSS1 P07477 1/20 0.41
CFTR P13569 8/20 0.41
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL13626484 0.90 CFTR (0.49) F10CFTRMEN1GAAKMT2A
SCHEMBL13626481 0.90 CFTR (0.49) F10CFTRMEN1GAAKMT2A
SCHEMBL13626490 0.90 CFTR (0.49) F10CFTRMEN1GAAKMT2A
SCHEMBL13626532 0.88 SMN1; SMN2 (0.45) F10CFTRKMT2AMAPT
SCHEMBL13626535 0.84 LHCGR (0.39) F10CFTR
SCHEMBL13626522 0.83 CFTR (0.40) F10CFTRMEN1GAAKMT2A
SCHEMBL3828864 0.80 CCR1 (0.53)
SCHEMBL8282298 0.78 F10 (0.57) F10MEN1KMT2AMAPT
SCHEMBL13626555 0.78 F10 (0.49) F10CFTRLMNA
SCHEMBL13626499 0.78 CFTR (0.48) CFTRMEN1GAAKMT2A

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