SCHEMBL28296520

SCHEMBL28296520

COC(=O)c1c(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD3 Q15059 2/20 0.47
HPGDS O60760 2/20 0.47
SSTR3 P32745 1/20 0.47
NR4A2 P43354 2/20 0.46
NAMPT P43490 1/20 0.46
GPR119 Q8TDV5 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
TUBB4A P04350 2/20 0.44
TUBB P07437 2/20 0.44
TUBA3C P0DPH7 2/20 0.44
TUBA1B P68363 2/20 0.44
TUBA4A P68366 2/20 0.44
TUBB4B P68371 2/20 0.44
TUBB3 Q13509 2/20 0.44
TUBB2A Q13885 2/20 0.44
TUBB8 Q3ZCM7 2/20 0.44
TUBA3E Q6PEY2 2/20 0.44
TUBA1A Q71U36 2/20 0.44

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
SCHEMBL14540708 0.77 GPR119 (0.48) HPGDSSSTR3NAMPTGPR119KDM4E
SCHEMBL26837525 0.76 HPGDS (0.47) BRD3HPGDSSSTR3TUBB4ATUBB
SCHEMBL19952634 0.76 TLR8 (0.47) BRD3NAMPTGPR119KDM4EMAPT
SCHEMBL29584028 0.76 TLR8 (0.47) BRD3NAMPTGPR119KDM4EMAPT
SCHEMBL19297081 0.75 EED (0.49) NAMPTGPR119KDM4EMAPTTHRB
SCHEMBL557776 0.74 KDM4E (0.70) GPR119KDM4EMAPTTHRBJAK2
SCHEMBL25036983 0.74 DDB1 (0.51) HPGDSSSTR3NAMPTGPR119KDM4E
SCHEMBL7893351 0.74 PROKR1 (0.55) BRD3HPGDSSSTR3GPR119JAK2
SCHEMBL30736677 0.74 EED (0.53) NAMPTGPR119KDM4EMAPTTHRB
SCHEMBL922043 0.74 EED (0.53) NAMPTGPR119KDM4EMAPTTHRB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109923108-A Pyridyl-substituted indole compounds 百时美施贵宝公司 2019-06-21 CN disclosed