SCHEMBL29495244

SCHEMBL29495244

C[Si](C)(C)CCOCn1cnc2cccc(C(N)=O)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
DPP4 P27487 1/20 0.38
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
PARP1 P09874 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TBXAS1 P24557 1/20 0.33
DGAT1 O75907 2/20 0.33
P2RX3 P56373 1/20 0.33
HTT P42858 2/20 0.33
PARP2 Q9UGN5 1/20 0.33
MEN1 O00255 1/20 0.33
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADRA2A P08913 1/20 0.33
MAPT P10636 1/20 0.33
OPRK1 P41145 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL28722469 1.00 NPC1 (0.40) NPC1DPP4BRD4CREBBPPARP1
SCHEMBL18248884 0.89 AGER (0.38) NPC1BRD4CREBBPDGAT1KMT2A
SCHEMBL22717531 0.87 KDM4E (0.40) BRD4CREBBPDGAT1MEN1LMNA
SCHEMBL15122763 0.82 HTT (0.42) NPC1BRD4CREBBPSMN1; SMN2DGAT1
SCHEMBL22717793 0.79 BRD4 (0.36) NPC1DPP4BRD4CREBBPSMN1; SMN2
SCHEMBL5591449 0.79 LMNA (0.39) NPC1DPP4BRD4CREBBPSMN1; SMN2
SCHEMBL30897282 0.78 DGAT1 (0.36) NPC1BRD4CREBBPSMN1; SMN2DGAT1
SCHEMBL27142590 0.78 DGAT1 (0.36) NPC1BRD4CREBBPSMN1; SMN2DGAT1
SCHEMBL30938018 0.77 P2RX3 (0.46) NPC1DPP4BRD4CREBBPP2RX3
SCHEMBL15122465 0.77 FGFR1 (0.48) NPC1BRD4CREBBPSMN1; SMN2HTT

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
EP-4003980-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 Ribon Therapeutics Inc. (US) 2022-06-01 EP disclosed
CN-114423753-A Heterobicyclic amides as CD38 inhibitors 里邦医疗公司 2022-04-29 CN disclosed