SCHEMBL9255023

SCHEMBL9255023

CC(C)NCCCNC#N

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.31
HRH3 Q9Y5N1 2/20 0.31
ADRB2 P07550 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
SCHEMBL9256141 0.85
SCHEMBL22013195 0.81
SCHEMBL479263 0.79 HRH4 (0.39) HRH4HRH3ADRB2
SCHEMBL5256329 0.76 HRH4 (0.31) HRH4HRH3ADRB2
SCHEMBL8851480 0.75
SCHEMBL7855413 0.73 TSHR (0.42) HRH4HRH3ADRB2
SCHEMBL2600364 0.73 HRH4 (0.43) HRH4HRH3ADRB2
SCHEMBL24230133 0.71 TSHR (0.40) HRH4HRH3ADRB2
SCHEMBL25565749 0.71 CYP2C19 (0.45) HRH4HRH3ADRB2
SCHEMBL754871 0.70 HRH4 (0.45) HRH4HRH3ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5426192-A Heat or pressure sensitive recording materials CIBA-GEIGY CORPORATION (US) 1995-06-20 US disclosed
US-5329006-A Heat and pressure sensitive elements for copies CIBA-GEIGY CORPORATION (US) 1994-07-12 US disclosed
EP-0475908-A1 Chromogenic lactam compounds, their production and use CIBA-GEIGY AG (CH) 1992-03-18 EP disclosed