SCHEMBL4072858

SCHEMBL4072858

FC(F)Oc1ccccc1N1C[CH]CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
APLNR P35414 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
ADRB1 P08588 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR3A P46098 1/20 0.35
HTR6 P50406 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35

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
SCHEMBL4070096 0.91 L3MBTL1 (0.35) KCNN4MAPTNPC1ALDH1A1RAB9A
SCHEMBL4072684 0.90 DRD2 (0.41) KCNN4MAPTNPC1ALDH1A1RAB9A
SCHEMBL4071575 0.78 DRD2 (0.59) MAPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL8828491 0.75 HTR6 (0.63) MAPTDRD2DRD3HTR3EHTR3B
SCHEMBL19527583 0.75 MAPT (0.52) MAPTNPC1ALDH1A1RAB9ADRD2
Hydrochloric Acid SCHEMBL8828557 0.74 LMNA (0.64) MAPTDRD2DRD3HTR3EHTR3B
SCHEMBL20129731 0.73 MEN1 (0.41) KCNN4MAPTNPC1ALDH1A1RAB9A
SCHEMBL28193355 0.73 HTR6 (0.51) MAPTDRD2DRD3HTR3EHTR3B
SCHEMBL19527608 0.72 APLNR (0.39) KCNN4MAPTNPC1ALDH1A1RAB9A
SCHEMBL4072195 0.72 SMN1; SMN2 (0.46) MAPTALDH1A1SMN1; SMN2DRD3CYP2C19

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
EP-1415986-B1 SPIRO ISOBENZOFURANES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS BANYU PHARMA CO LTD (JP) 2009-04-08 EP disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 US disclosed