SCHEMBL653388

SCHEMBL653388

CC(C)(C)OC(=O)N1CC[C@@H]2CN(c3cncc(C#C[Si](C)(C)C)c3)C[C@@H]21

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
RET P07949 1/20 0.40
GPR119 Q8TDV5 10/20 0.40
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
GRM5 P41594 3/20 0.36
USP30 Q70CQ3 1/20 0.36
SPR P35270 1/20 0.35

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
SCHEMBL652482 0.87 NR1H2 (0.42) NR1H2NR1H3RETGPR119PIK3CA
SCHEMBL653685 0.87 RET (0.46) NR1H2NR1H3RETGPR119
SCHEMBL3585756 0.86 CHRNB2 (0.36)
SCHEMBL652009 0.85 GPR119 (0.45) NR1H2NR1H3RETGPR119USP30
SCHEMBL650034 0.82 GPR119 (0.43) UCHL1NR1H2NR1H3RETGPR119
SCHEMBL650737 0.82 GPR119 (0.43) UCHL1NR1H2NR1H3RETGPR119
SCHEMBL654584 0.81 CHRNB2 (0.47) NR1H2NR1H3RETGPR119USP30
SCHEMBL650797 0.81 CHRNB2 (0.47) NR1H2NR1H3RETGPR119USP30
SCHEMBL649506 0.81 RET (0.43) NR1H2NR1H3RETGPR119PIK3CA
SCHEMBL650661 0.81 NR1H2 (0.42) NR1H2NR1H3RETGPR119PIK3CA

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
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