SCHEMBL7744836

SCHEMBL7744836

CC1CCCCC1NCc1nc2ccccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
PKM P14618 1/20 0.54
DDAH1 O94760 1/20 0.48
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
POLB P06746 1/20 0.44
IDO1 P14902 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL7338280 0.81 LMNA (0.75) LMNAPKMDDAH1BCHEPOLB
SCHEMBL13909625 0.74 CXCR4 (0.58) LMNAPKMALDH1A1
SCHEMBL4111972 0.72 IDO1 (0.70) LMNAPKMDDAH1BCHEPOLB
SCHEMBL31298007 0.72 PKM (0.96) LMNAPKMDDAH1BCHEPOLB
SCHEMBL336412 0.72 PKM (0.96) LMNAPKMDDAH1BCHEPOLB
SCHEMBL31734838 0.71 PKM (0.71) PKMDDAH1BCHEPOLBSMN1; SMN2
SCHEMBL711507 0.71 PKM (0.71) PKMDDAH1BCHEPOLBSMN1; SMN2
SCHEMBL13899002 0.71 PKM (0.66) PKMDDAH1BCHEPOLBSMN1; SMN2
SCHEMBL6759257 0.71 IDO1 (0.68) LMNAPKMDDAH1BCHEPOLB
Hydrochloric Acid SCHEMBL5973175 0.70 PKM (1.00) LMNAPKMDDAH1BCHEPOLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed