SCHEMBL5789153

SCHEMBL5789153

COC(=O)c1ccc(N2CCCC2OC2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
GPR119 Q8TDV5 13/20 0.48
KMT2A Q03164 1/20 0.47
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 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
SCHEMBL5785586 0.89 GPR119 (0.50) GPR119KMT2AABL1RIN1KDM4E
SCHEMBL20076232 0.84 GPR119 (0.64) TP53MAPTTHRBGPR119KMT2A
SCHEMBL22556816 0.81 GPR119 (0.58) TP53MAPTTHRBGPR119KMT2A
SCHEMBL22556819 0.81 GPR119 (0.58) TP53MAPTTHRBGPR119KMT2A
SCHEMBL240683 0.78 GPR119 (0.61) GPR119KMT2AALDH1A1PDE4APDE4B
SCHEMBL3166775 0.78 GPR119 (0.50) TP53MAPTTHRBGPR119KMT2A
SCHEMBL3485718 0.78 GPR119 (0.78) TP53MAPTTHRBGPR119KMT2A
SCHEMBL17572994 0.76 HDAC4 (0.60) TP53MAPTTHRBKMT2AKDM4E
SCHEMBL18824369 0.76 KMT2A (0.58) GPR119KMT2AABL1RIN1KDM4E
SCHEMBL1198897 0.76 NAMPT (0.60) TP53MAPTTHRBGPR119KMT2A

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-1670783-A2 ANTITHROMBOTIC AROMATIC ETHERS ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
WO-2005049604-A2 ANTITHROMBOTIC AROMATIC ETHERS ELI LILLY AND COMPANY (US) 2005-06-02 WO disclosed