SCHEMBL5134516

SCHEMBL5134516

CN1CCC[C@H]1COc1cc([N+](=O)[O-])ccc1C(F)(F)C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 8/20 0.61
CHRNA3 P32297 8/20 0.61
CHRNB2 P17787 2/20 0.51
CHRNA4 P43681 1/20 0.51
CHRNB1 P11230 1/20 0.51
CHRNB3 Q05901 1/20 0.51
UTS2R Q9UKP6 2/20 0.45
KDR P35968 1/20 0.44

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
SCHEMBL4375014 1.00 CHRNB4 (0.61) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL4375016 1.00 CHRNB4 (0.61) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL4966709 0.91 CHRNB4 (0.64) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL4966717 0.91 CHRNB4 (0.64) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL1655800 0.83 ACHE (0.48) CHRNB4CHRNA3
SCHEMBL4977559 0.83 ALOX5AP (0.43) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL4370059 0.83 ALOX5AP (0.43) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL4374846 0.83 ALOX5AP (0.43) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL4368887 0.82 CHRNB4 (0.49) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL5420654 0.82 CHRNB4 (0.49) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1

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-1971604-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES Amgen Inc. (US) 2008-09-24 EP disclosed
WO-2007048070-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC. (US) 2007-04-26 WO disclosed