SCHEMBL13626522

SCHEMBL13626522

Cc1cccc2c1CC(C(=O)Nc1ccc(C3=NCCN3C)cc1)N(C(=O)Nc1ccc(Cl)cc1)C2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CFTR P13569 7/20 0.40
F10 P00742 4/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
P2RX7 Q99572 1/20 0.36
TRPV1 Q8NER1 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
SCHEMBL13626490 0.89 CFTR (0.49) CFTRF10MEN1GAAKMT2A
SCHEMBL13626481 0.89 CFTR (0.49) CFTRF10MEN1GAAKMT2A
SCHEMBL13626484 0.89 CFTR (0.49) CFTRF10MEN1GAAKMT2A
SCHEMBL13626535 0.83 LHCGR (0.39) CFTRF10TRPV1
SCHEMBL13626536 0.83 F10 (0.42) CFTRF10MEN1GAAKMT2A
SCHEMBL13626532 0.82 SMN1; SMN2 (0.45) CFTRF10KMT2A
SCHEMBL13626542 0.80 F10 (0.43) F10MEN1GAAKMT2ATAS1R3
SCHEMBL13626527 0.79 CFTR (0.46) CFTRF10MEN1GAAKMT2A
SCHEMBL3828864 0.79 CCR1 (0.53)
SCHEMBL13626525 0.78 CFTR (0.45) CFTRMEN1GAAKMT2ATAS1R3

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