SCHEMBL6992385

SCHEMBL6992385

CC1CCC(c2cccc(NC(=O)Nc3cccc(F)c3)c2)(N2CCN(c3ccccc3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.48
KCNJ6 P48051 6/20 0.46
KCNJ3 P48549 6/20 0.46
KCNJ5 P48544 4/20 0.46
MAPT P10636 4/20 0.44
POLB P06746 3/20 0.44
NPC1 O15118 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
HCRTR1 O43613 1/20 0.42
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.42

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
Hydrochloric Acid SCHEMBL6993006 0.99 NPY1R (0.54) NPY1RSMN1; SMN2KCNJ6KCNJ3KCNJ5
SCHEMBL7090266 0.94 NPY1R (0.54) NPY1RSMN1; SMN2KCNJ6KCNJ3KCNJ5
Hydrochloric Acid SCHEMBL6990784 0.93 NPY1R (0.53) NPY1RSMN1; SMN2KCNJ6KCNJ3KCNJ5
SCHEMBL7051912 0.90 NPY1R (0.52) NPY1RSMN1; SMN2MAPTPOLBNPC1
SCHEMBL7051909 0.90 NPY1R (0.52) NPY1RSMN1; SMN2MAPTPOLBNPC1
Hydrochloric Acid SCHEMBL6990944 0.87 NPY1R (0.55) NPY1RMAPTPOLBNPC1KMT2A
SCHEMBL7049983 0.87 NPY1R (0.53) NPY1RSMN1; SMN2MAPTPOLBNPC1
SCHEMBL7049987 0.87 NPY1R (0.53) NPY1RSMN1; SMN2MAPTPOLBNPC1
SCHEMBL7091275 0.86 HTR1A (0.54) NPY1RSMN1; SMN2MAPTNPC1KMT2A
Hydrochloric Acid SCHEMBL6990799 0.85 HTR1A (0.54) NPY1RSMN1; SMN2MAPTNPC1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915859-B1 CERTAIN SUBSTITUTED BENZYLAMINE DERIVATIVES; A NEW CLASS OF NEUROPEPTIDE Y1 SPECIFIC LIGANDS NEUROGEN CORP (US) 2003-01-02 EP claimed
EP-0915859-B1 CERTAIN SUBSTITUTED BENZYLAMINE DERIVATIVES; A NEW CLASS OF NEUROPEPTIDE Y1 SPECIFIC LIGANDS NEUROGEN CORP (US) 2003-01-02 EP disclosed
EP-0915859-A1 CERTAIN SUBSTITUTED BENZYLAMINE DERIVATIVES; A NEW CLASS OF NEUROPEPTIDE Y1 SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1999-05-19 EP disclosed
WO-1998003492-A1 CERTAIN SUBSTITUTED BENZYLAMINE DERIVATIVES; A NEW CLASS OF NEUROPEPTIDE Y1 SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1998-01-29 WO disclosed