SCHEMBL9717952

SCHEMBL9717952

CC(C)(C)OC(=O)N1C(CO)CCC1c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.47
RIPK1 Q13546 1/20 0.45
ALDH1A1 P00352 3/20 0.43
CHRNA7 P36544 3/20 0.43
CHRNB2 P17787 3/20 0.43
CHRNA4 P43681 3/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNA2 Q15822 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
PSIP1 O75475 1/20 0.43
TRPA1 O75762 1/20 0.43
HTR3B O95264 1/20 0.43
CHRNA1 P02708 1/20 0.43
CHRNG P07510 1/20 0.43
MAPT P10636 1/20 0.43
CHRNB1 P11230 1/20 0.43

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
SCHEMBL2460433 0.89 GPR119 (0.45) GPR119RIPK1ALDH1A1CHRNA7CHRNB2
SCHEMBL2460437 0.89 GPR119 (0.45) GPR119RIPK1ALDH1A1CHRNA7CHRNB2
SCHEMBL11995175 0.87 ALDH1A1 (0.44) GPR119RIPK1ALDH1A1CHRNA7CHRNB2
SCHEMBL5149946 0.85 ABCB1 (0.52) GPR119RIPK1KDM4EMEN1KMT2A
SCHEMBL3857587 0.85 ABCB1 (0.52) GPR119RIPK1KDM4EMEN1KMT2A
SCHEMBL475729 0.85 ABCB1 (0.52) GPR119RIPK1KDM4EMEN1KMT2A
SCHEMBL9269428 0.84 GPR119 (0.47) GPR119RIPK1ALDH1A1CHRNA7CHRNB2
SCHEMBL11995176 0.82 CYP2C19 (0.41) GPR119RIPK1ALDH1A1KDM4ELMNA
SCHEMBL9717959 0.81 GPR119 (0.42) GPR119ALDH1A1TDP1KDM4EMAPT
SCHEMBL28528295 0.79 RIPK1 (0.50) GPR119RIPK1ALDH1A1TDP1TRPA1

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
WO-1992019618-A1 PLATELET ACTIVATING ANTAGONISTS ABBOTT LABORATORIES (US) 1992-11-12 WO disclosed
US-5149704-A Pyridyl- or thiazolidineaminesor ureas ABBOTT LABORATORIES (US) 1992-09-22 US disclosed