SCHEMBL7594491

SCHEMBL7594491

CC[C@@H](COc1ccc(F)nc1)NC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40

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
SCHEMBL7594493 1.00 CHRNB2 (0.40) CHRNB2CHRNA4
SCHEMBL5174095 0.81 CHRNB2 (0.42) CHRNB2CHRNA4
SCHEMBL5174090 0.81 CHRNB2 (0.42) CHRNB2CHRNA4
SCHEMBL7228431 0.81 CHRNB2 (0.42) CHRNB2CHRNA4
SCHEMBL5174959 0.76 AAK1 (0.44)
SCHEMBL2889610 0.74 CHRNB2 (0.42) CHRNB2CHRNA4
SCHEMBL24687082 0.74 NQO1 (0.54) CHRNB2CHRNA4
SCHEMBL5173626 0.73 CHRNB2 (0.43) CHRNB2CHRNA4
SCHEMBL5173631 0.73 CHRNB2 (0.43) CHRNB2CHRNA4
SCHEMBL5172747 0.73 CHRNB2 (0.43) CHRNB2CHRNA4

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-1257535-A1 SUBSTITUTED PYRIDINE COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 2002-11-20 EP disclosed
WO-2001056991-A1 SUBSTITUTED PYRIDINE COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 2001-08-09 WO disclosed