SCHEMBL649486

SCHEMBL649486

C=Cc1cncc(N2C[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.44
NR1H3 Q13133 1/20 0.44
GPR119 Q8TDV5 12/20 0.41
RET P07949 1/20 0.40
USP30 Q70CQ3 1/20 0.37
SPR P35270 1/20 0.36
JAK3 P52333 2/20 0.35
NAMPT P43490 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
SCHEMBL650034 0.87 GPR119 (0.43) NR1H2NR1H3GPR119RETUSP30
SCHEMBL650737 0.87 GPR119 (0.43) NR1H2NR1H3GPR119RETUSP30
SCHEMBL652009 0.85 GPR119 (0.45) NR1H2NR1H3GPR119RETUSP30
SCHEMBL3573575 0.84 JAK3 (0.35) JAK3
SCHEMBL650797 0.84 CHRNB2 (0.47) NR1H2NR1H3GPR119RETUSP30
SCHEMBL654584 0.84 CHRNB2 (0.47) NR1H2NR1H3GPR119RETUSP30
SCHEMBL649506 0.83 RET (0.43) NR1H2NR1H3GPR119RETUSP30
SCHEMBL650661 0.83 NR1H2 (0.42) NR1H2NR1H3GPR119RETUSP30
SCHEMBL653685 0.82 RET (0.46) NR1H2NR1H3GPR119RET
SCHEMBL652482 0.82 NR1H2 (0.42) NR1H2NR1H3GPR119RETUSP30

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