SCHEMBL2907313

SCHEMBL2907313

O=C(O)N1CCC(N(Cc2ccco2)C(=O)OCc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.49
OPRM1 P35372 7/20 0.45
OPRD1 P41143 6/20 0.45
OPRK1 P41145 6/20 0.45
CHRM2 P08172 2/20 0.44
CHRM3 P20309 2/20 0.44
HTT P42858 1/20 0.44
UBE2M P61081 2/20 0.44
DCUN1D1 Q96GG9 2/20 0.44
CCR5 P51681 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42

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
SCHEMBL2797116 0.87 GPR119 (0.49) THRBHTTUBE2MDCUN1D1CCR5
SCHEMBL2791118 0.85 THRB (0.45) THRBOPRM1HTTUBE2MDCUN1D1
SCHEMBL2794952 0.85 HTT (0.45) THRBOPRM1CHRM3HTTCYP2C19
Hydrochloric Acid SCHEMBL2791119 0.84 THRB (0.44) THRBOPRM1OPRD1OPRK1HTT
Hydrochloric Acid SCHEMBL2791115 0.84 THRB (0.44) THRBOPRM1OPRD1OPRK1HTT
Hydrochloric Acid SCHEMBL2794947 0.84 HTT (0.45) THRBOPRM1CHRM3HTTCYP2C19
SCHEMBL784814 0.81 CCR5 (0.60) CCR5NPC1RAB9ASMN1; SMN2
SCHEMBL30802466 0.81 SMN1; SMN2 (0.49) CHRM2CHRM3CCR5NPC1RAB9A
SCHEMBL2795154 0.81 HTR2A (0.51) OPRM1CHRM2CHRM3UBE2MDCUN1D1
SCHEMBL2795045 0.80 KMT2A (0.44) THRBUBE2MDCUN1D1CCR5

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-2164829-A1 A NEW PEPTIDE DEFORMYLASE INHIBITOR COMPOUND AND MANUFACTURING PROCESS THEREOF Ildong Pharmaceutical Co., Ltd. (KR) 2010-03-24 EP disclosed
WO-2008150089-A1 A NEW PEPTIDE DEFORMYLASE INHIBITOR COMPOUND AND MANUFACTURING PROCESS THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2008-12-11 WO disclosed