SCHEMBL3631348

SCHEMBL3631348

[NH]C(=O)CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.63
DRD3 P35462 4/20 0.59
DRD2 P14416 3/20 0.59
TDP1 Q9NUW8 2/20 0.58
HDAC4 P56524 2/20 0.57
HDAC1 Q13547 2/20 0.57
ATM Q13315 1/20 0.57
ALDH1A1 P00352 2/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
MAPK1 P28482 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
OPRM1 P35372 1/20 0.56
OPRD1 P41143 1/20 0.56
ADRA1B P35368 1/20 0.55
HRH1 P35367 2/20 0.55
SLC6A2 P23975 1/20 0.55
HRH2 P25021 1/20 0.55
HTR2A P28223 1/20 0.55
SLC6A4 P31645 1/20 0.55

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
SCHEMBL8583041 0.87 LMNA (0.61) LMNADRD3DRD2TDP1HDAC4
Ethylene SCHEMBL8582548 0.86 LMNA (0.60) LMNADRD3DRD2TDP1HDAC4
Fumaric Acid SCHEMBL10826414 0.84 ALDH1A1 (0.56) LMNADRD3DRD2TDP1HDAC4
Fumaric Acid SCHEMBL10826412 0.84 ALDH1A1 (0.56) LMNADRD3DRD2TDP1HDAC4
SCHEMBL9178958 0.82 DRD3 (0.72) DRD3DRD2TDP1HRH1SLC6A2
SCHEMBL7386077 0.81 DRD3 (0.65) LMNADRD3DRD2TDP1ALDH1A1
SCHEMBL6618656 0.81 DRD3 (0.63) LMNADRD3DRD2TDP1OPRM1
Hydrochloric Acid SCHEMBL30473057 0.81 HRH1 (0.73) DRD3DRD2TDP1HRH1SLC6A2
SCHEMBL8582550 0.81 OPRD1 (0.56) LMNADRD3DRD2TDP1HDAC4
SCHEMBL28066404 0.80 TSHR (0.63) LMNADRD3DRD2ATMALDH1A1

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-1487444-B9 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-07-21 EP claimed
EP-1487444-B1 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS ASTELLAS DEUTSCHLAND GMBH (DE) 2009-12-30 EP claimed