SCHEMBL10556167

SCHEMBL10556167

CCNC(=O)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN1C(=O)NCC

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.83
CYP2D6 P10635 4/20 0.83
MAPK1 P28482 3/20 0.83
MTOR P42345 3/20 0.83
RAB9A P51151 3/20 0.83
TSHR P16473 2/20 0.83
FAAH O00519 1/20 0.83
ALOX12 P18054 1/20 0.83
MEN1 O00255 4/20 0.81
KMT2A Q03164 4/20 0.81
BLM P54132 3/20 0.81
PMP22 Q01453 3/20 0.81
SMN1; SMN2 Q16637 3/20 0.81
HTR2A P28223 8/20 0.56
ADRA1A P35348 8/20 0.56
HRH1 P35367 8/20 0.56
DRD3 P35462 8/20 0.56
SLC6A3 Q01959 8/20 0.56
OPRK1 P41145 7/20 0.56
ADORA3 P0DMS8 7/20 0.56

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
Amperozide SCHEMBL340961 0.91 CYP3A4 (1.00) CYP3A4CYP2D6MAPK1MTORRAB9A
Amperozide SCHEMBL1321270 0.89 MEN1 (1.00) CYP3A4CYP2D6MAPK1MTORRAB9A
Amperozide SCHEMBL17360644 0.88 CYP3A4 (0.95) CYP3A4CYP2D6MAPK1MTORRAB9A
SCHEMBL10557106 0.85 CYP3A4 (0.74) CYP3A4CYP2D6MAPK1MTORRAB9A
Hydrochloric Acid SCHEMBL10510286 0.80 MEN1 (0.83) CYP3A4CYP2D6MAPK1MTORRAB9A
SCHEMBL28876807 0.79 CYP3A4 (0.64) CYP3A4CYP2D6MAPK1MTORRAB9A
Hydrochloric Acid SCHEMBL10510024 0.79 KMT2A (0.81) CYP3A4CYP2D6MAPK1MTORRAB9A
SCHEMBL4750789 0.78 SLC6A3 (0.64) CYP3A4CYP2D6MAPK1MTORRAB9A
SCHEMBL10554386 0.78 SLC6A3 (0.60) CYP3A4CYP2D6MAPK1MTORRAB9A
SCHEMBL10814470 0.78 CYP3A4 (0.71) CYP3A4CYP2D6MAPK1MTORRAB9A

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
US-4801706-A ANTIARRHYTHMIA HYPOTENSIVE AMERICAN HOME PRODUCTS CORPORATION (US) 1989-01-31 US claimed
US-4801706-A ANTIARRHYTHMIA HYPOTENSIVE AMERICAN HOME PRODUCTS CORPORATION (US) 1989-01-31 US disclosed