SCHEMBL649412

SCHEMBL649412

CC(C)(C)C(c1ccccc1)N1CC2CCN(C(=O)O)CC21

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.38
HCRTR1 O43613 6/20 0.38
HCRTR2 O43614 6/20 0.38
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM3 P20309 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL17781830 0.82 KMT2A (0.41) GPR119DPP4DPP7MEN1KMT2A
SCHEMBL651152 0.77 RIPK1 (0.39) DPP4DPP7MEN1KMT2ACHRM3
SCHEMBL19467730 0.75 CCR5 (0.42) KMT2ACHRM3KDM4E
SCHEMBL3575935 0.75 CCR5 (0.42) KMT2ACHRM3KDM4E
SCHEMBL3582255 0.75 CCR5 (0.42) KMT2ACHRM3KDM4E
SCHEMBL7687290 0.75 CCR5 (0.42) KMT2ACHRM3KDM4E
SCHEMBL5130929 0.75 CCR5 (0.42) KMT2ACHRM3KDM4E
SCHEMBL3494682 0.75 KMT2A (0.39) MEN1KMT2ACHRM3
SCHEMBL1586795 0.74 GPR119 (0.54) GPR119KDM4E
SCHEMBL1586797 0.74 GPR119 (0.54) GPR119KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119635-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2012-02-21 US disclosed
EP-2298775-A1 Diazabicyclic central nervous system active agents Abbott Laboratories (US) 2011-03-23 EP disclosed
EP-2295437-A1 Diazabicyclic central nervous system active agents Abbott Laboratories (US) 2011-03-16 EP disclosed