SCHEMBL13534366

SCHEMBL13534366

Cc1c(N2CCN(c3cnc(C(C)(C)O)cn3)CC2)nnc(Cc2ccccc2)c1CO

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMO Q99835 16/20 0.64

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
SCHEMBL13534429 0.92 SMO (0.64) SMO
SCHEMBL1836517 0.90 SMO (0.76) SMO
SCHEMBL30090720 0.90 SMO (0.76) SMO
SCHEMBL3206295 0.88 SMO (0.84) SMO
SCHEMBL13445009 0.85 SMO (0.74) SMO
SCHEMBL1836414 0.82 SMO (0.57) SMO
SCHEMBL3212832 0.81 SMO (0.84) SMO
SCHEMBL3595660 0.78 SMO (0.75) SMO
Leq506 SCHEMBL29362923 0.78 SMO (1.00) SMO
Leq506 SCHEMBL30090497 0.78 SMO (1.00) SMO

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
EP-2318389-B1 PYRIDAZINE DERIVATIVES AS SMO INHIBITORS NOVARTIS AG (CH) 2013-06-19 EP disclosed
WO-2010007120-A1 PYRIDAZINE DERIVATIVES AS SMO INHIBITORS NOVARTIS AG (CH) 2010-01-21 WO disclosed