SCHEMBL29626684

SCHEMBL29626684

CC(C)(C)OC(=O)N1CCC2(C1)Oc1cccnc1NC2=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.43
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
SCD5 Q86SK9 1/20 0.41
DTYMK P23919 1/20 0.40
CYP11B2 P19099 1/20 0.40
GPR119 Q8TDV5 3/20 0.39
USP30 Q70CQ3 3/20 0.39
KCNH2 Q12809 1/20 0.39
OTUD7B Q6GQQ9 2/20 0.39
AKT1 P31749 1/20 0.39
CCR5 P51681 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
IDH1 O75874 1/20 0.37

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
SCHEMBL29626721 0.91 NPC1 (0.48) NPC1POLBDDB1CRBNSCD5
SCHEMBL20721877 0.84 OTUD7B (0.57) POLBDDB1CRBNSCD5DTYMK
SCHEMBL22944644 0.81 GPR119 (0.43) NPC1POLBDDB1CRBNSCD5
SCHEMBL29626805 0.80 NPC1 (0.47) NPC1KCNH2OTUD7B
SCHEMBL22980435 0.80 POLB (0.47) POLBDDB1CRBNSCD5DTYMK
SCHEMBL10286651 0.79 HSD11B1 (0.46) POLBSCD5DTYMKCYP11B2GPR119
SCHEMBL29416284 0.78 KCNH2 (0.61) POLBDTYMKGPR119KCNH2AKT1
SCHEMBL12180668 0.77 POLB (0.43) POLBDDB1CRBNSCD5DTYMK
SCHEMBL2588219 0.77 POLB (0.43) POLBDDB1CRBNSCD5DTYMK
SCHEMBL22300223 0.76 IDO1 (0.40) CRBNSCD5GPR119USP30

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
CN-114450271-B Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition 纽力克斯治疗公司 2024-09-20 CN disclosed
EP-4003965-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION Nurix Therapeutics, Inc. (US) 2022-06-01 EP disclosed