SCHEMBL13626535

SCHEMBL13626535

CN1CCN=C1c1ccc(NC(=O)C2Cc3sccc3CN2C(=O)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 4/20 0.39
F10 P00742 6/20 0.38
TRPV1 Q8NER1 1/20 0.38
CFTR P13569 2/20 0.36
CCR1 P32246 1/20 0.35

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 0.87 CFTR (0.49) F10CFTR
SCHEMBL13626481 0.87 CFTR (0.49) F10CFTR
SCHEMBL13626490 0.87 CFTR (0.49) F10CFTR
SCHEMBL13626536 0.84 F10 (0.42) F10CFTR
SCHEMBL13626522 0.83 CFTR (0.40) F10TRPV1CFTR
SCHEMBL13626532 0.83 SMN1; SMN2 (0.45) F10CFTR
SCHEMBL3828864 0.80 CCR1 (0.53) CCR1
SCHEMBL13626540 0.79 F10 (0.47) LHCGRF10
SCHEMBL13626543 0.79 CFTR (0.41) LHCGRF10CFTRCCR1
SCHEMBL8282298 0.78 F10 (0.57) F10CCR1

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