SCHEMBL11485199

SCHEMBL11485199

CN1CCCC1=N.F[B-](F)(F)F

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
INMT O95050 7/20 0.81
BRD4 O60885 1/20 0.41
BRD2 P25440 1/20 0.41

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
SCHEMBL11743476 0.91 INMT (0.67) INMTBRD4BRD2
SCHEMBL2887326 0.90
Hydrochloric Acid SCHEMBL11484689 0.87
SCHEMBL7622419 0.82
SCHEMBL10960992 0.80 INMT (0.80) INMTBRD4BRD2
Hydrochloric Acid SCHEMBL8462888 0.80
SCHEMBL11739866 0.80
SCHEMBL11743467 0.74 INMT (0.61) INMTBRD4BRD2
Methylpyrrolidone SCHEMBL10489588 0.71 BRD4 (0.81) INMTBRD4BRD2
SCHEMBL19063092 0.70

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-4211867-A ANTISECRETORY AGENTS, HYPOGLYCEMIC AGENTS, ANTIARRHYTHMIA AGENTS MCNEIL LABORATORIES, INCORPORATED (US) 1980-07-08 US disclosed