SCHEMBL15529641

SCHEMBL15529641

NC(=O)N1CCC1c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.51
CHRNB2 P17787 4/20 0.51
CHRNA4 P43681 4/20 0.51
ALDH1A1 P00352 4/20 0.51
CHRNB4 P30926 2/20 0.50
CHRNA3 P32297 2/20 0.50
CHRNA2 Q15822 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
LMNA P02545 1/20 0.50
HTR3E A5X5Y0 1/20 0.50
PSIP1 O75475 1/20 0.50
TRPA1 O75762 1/20 0.50
HTR3B O95264 1/20 0.50
CHRNA1 P02708 1/20 0.50
CHRNG P07510 1/20 0.50
MAPT P10636 1/20 0.50
CHRNB1 P11230 1/20 0.50
CYP2A6 P11509 1/20 0.50
PTGS1 P23219 1/20 0.50
CHRNA5 P30532 1/20 0.50

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
SCHEMBL38658031 0.91 ALDH1A1 (0.59) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
SCHEMBL31430919 0.90 CHRNB2 (0.59) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
SCHEMBL1962198 0.90 CHRNB2 (0.59) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
SCHEMBL16463271 0.82 ALDH1A1 (0.43) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
SCHEMBL27603665 0.81 CHRNB2 (0.62) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
SCHEMBL12944008 0.80 RIPK1 (0.63) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL27703992 0.78 GPR119 (0.53) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
SCHEMBL30675171 0.78 GPR119 (0.53) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
SCHEMBL30350219 0.77 ALDH1A1 (0.62) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
SCHEMBL27687034 0.77 CHRNA7 (0.58) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4

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-2852585-A1 NAMPT INHIBITORS AbbVie Inc. (US) 2015-04-01 EP disclosed
WO-2013170113-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 WO disclosed