SCHEMBL7677629

SCHEMBL7677629

CCCC1[CH]CCN(C(N)=O)C1

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31
PDE4B Q07343 3/20 0.31
LMNA P02545 1/20 0.31
GNAI3 P08754 1/20 0.30
GNAO1 P09471 1/20 0.30
GNAI1 P63096 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL15011974 0.79 PDE4B (0.33) PDE4B
Hydrochloric Acid SCHEMBL15121983 0.78 PDE4B (0.32) PDE4B
Hydrochloric Acid SCHEMBL15012036 0.78
SCHEMBL4339230 0.73 PDE4B (0.34) PDE4B
SCHEMBL14342918 0.71 PDE4B (0.32) PDE4B
SCHEMBL14813915 0.70 GNAI3 (0.39) LMNAGNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL5313449 0.69 PDE4B (0.31) PDE4B
SCHEMBL20808721 0.69 CYP2C9 (0.38) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL14813742 0.68 LMNA (0.43) LMNAMEN1POLBMAPTKMT2A
SCHEMBL27853223 0.67 PDK1 (0.41) MEN1POLBKMT2A

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-6420364-B1 TREATING AUTOIMMUNE DISEASES,ALZHEIMER'S DISEASE, ATHEROSCLEROSIS, OSTEOPOROSIS, BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-07-16 US disclosed