SCHEMBL8518845

SCHEMBL8518845

CC1CCC(c2cccc(NC(=O)C(=O)CN3CCN(C)CC3)c2)(N2CCN(c3ccccc3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 4/20 0.42
POLB P06746 1/20 0.42
HTR1A P08908 3/20 0.41
DRD2 P14416 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
TP53 P04637 1/20 0.41
DRD4 P21917 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
HTR7 P34969 1/20 0.39
REV1 Q9UBZ9 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL7058556 1.00 NPY1R (0.52) NPY1RSMN1; SMN2MAPTPOLBHTR1A
SCHEMBL7058711 0.92 NPY1R (0.52) NPY1RSMN1; SMN2MAPTPOLBMEN1
SCHEMBL7058709 0.92 NPY1R (0.52) NPY1RSMN1; SMN2MAPTPOLBMEN1
SCHEMBL7054513 0.91 NPY1R (0.51) NPY1RSMN1; SMN2MAPTPOLBHTR1A
SCHEMBL7054519 0.91 NPY1R (0.51) NPY1RSMN1; SMN2MAPTPOLBHTR1A
Hydrochloric Acid SCHEMBL8317459 0.84 MAPT (0.55) NPY1RSMN1; SMN2MAPTPOLBHTR1A
SCHEMBL7057017 0.83 NPY1R (0.51) NPY1RSMN1; SMN2MAPTPOLBHTR1A
SCHEMBL7057014 0.83 NPY1R (0.51) NPY1RSMN1; SMN2MAPTPOLBHTR1A
SCHEMBL7052747 0.83 NPY1R (0.52) NPY1RMAPTPOLBHTR1ADRD2
SCHEMBL7056417 0.82 NPY1R (0.54) NPY1RSMN1; SMN2MAPTPOLBHTR1A

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-0918761-A1 CERTAIN AMIDO- AND AMINO-SUBSTITUTED BENZYLAMINE DERIVATIVES; A NEW CLASS OF NEUROPEPTITE Y1 SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1999-06-02 EP disclosed
WO-1998003494-A1 CERTAIN AMIDO- AND AMINO-SUBSTITUTED BENZYLAMINE DERIVATIVES; A NEW CLASS OF NEUROPEPTITE Y1 SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1998-01-29 WO disclosed