SCHEMBL13626481

SCHEMBL13626481

CN1CCN=C1c1ccc(NC(=O)C2Cc3ccccc3CN2C(=O)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFTR P13569 9/20 0.49
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
MAPT P10636 3/20 0.44
PABPC1 P11940 1/20 0.44
F10 P00742 1/20 0.43

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
SCHEMBL13626490 1.00 CFTR (0.49) CFTRLMNAPKMMEN1KMT2A
SCHEMBL13626484 1.00 CFTR (0.49) CFTRLMNAPKMMEN1KMT2A
SCHEMBL13626536 0.90 F10 (0.42) CFTRLMNAPKMMEN1KMT2A
SCHEMBL13626522 0.89 CFTR (0.40) CFTRMEN1KMT2AGAATAS1R3
SCHEMBL13626532 0.87 SMN1; SMN2 (0.45) CFTRKMT2AMAPTF10
SCHEMBL13626535 0.87 LHCGR (0.39) CFTRF10
SCHEMBL13626542 0.85 F10 (0.43) MEN1KMT2AGAATAS1R3TAS1R1
SCHEMBL13626499 0.85 CFTR (0.48) CFTRMEN1KMT2AGAAPOLB
SCHEMBL3828864 0.82 CCR1 (0.53) CYP2C19
SCHEMBL8282298 0.80 F10 (0.57) MEN1KMT2APOLBMAPTF10

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