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Citric Acid

Citric Acid

SCHEMBL4697719

COc1ccc2[nH]cc(C3=CCN(OC(=O)NCC4CCC(c5ccccc5)(N(C)C)CC4)CC3)c2c1.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACVR1ADORA1ADORA2AADORA2BADORA3ESR1ESR2FLT3GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSC1HRH1HTR7IDH1IDH2IRAK1JAK1JAK2JAK3MEN1OPRM1P2RX3PDE5ASCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASIGMAR1SLC6A2SYKTACR1TOP2ATYK2

The experimentally established mechanism targets of Citric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 11/20 0.43
▸ HTR1A P08908 10/20 0.43
▸ SLC6A4 P31645 2/20 0.41
▸ HTR2A P28223 2/20 0.39
▸ DRD3 P35462 2/20 0.39
▸ DRD1 P21728 1/20 0.39

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
SCHEMBL4697762 0.94 HTR1A (0.49) DRD2HTR1ASLC6A4HTR2ADRD3
Citric Acid SCHEMBL4700363 0.92 OPRM1 (0.42) DRD2HTR1ASLC6A4HTR2ADRD3
Citric Acid SCHEMBL4702258 0.92 OPRL1 (0.38) DRD2HTR1ASLC6A4HTR2A
Citric Acid SCHEMBL2782199 0.90 DRD2 (0.44) DRD2HTR1ASLC6A4HTR2ADRD3
Citric Acid SCHEMBL4701377 0.85 DRD2 (0.40) DRD2HTR1ASLC6A4HTR2ADRD3
SCHEMBL4697998 0.85 OPRM1 (0.46) DRD2HTR1ASLC6A4
Hydrochloric Acid SCHEMBL4703735 0.85 OPRM1 (0.46) DRD2HTR1ASLC6A4
SCHEMBL4701398 0.85 OPRM1 (0.47) DRD2HTR1ASLC6A4HTR2ADRD3
SCHEMBL4702267 0.85 OPRL1 (0.43) DRD2HTR1ASLC6A4HTR2A
SCHEMBL2781043 0.83 HTR1A (0.50) DRD2HTR1ASLC6A4HTR2ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1560823-B1 4-SUBSTITUTED 1-AMINOCYCLOHEXANE DERIVATIVES FOR UTILIZATION AS ORL1-RECEPTOR AND MU-OPIATE RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2008-07-09 — — EP disclosed
EP-1560823-A1 4-SUBSTITUTED 1-AMINOCYCLOHEXANE DERIVATIVES FOR UTILIZATION AS ORL1-RECEPTOR AND MU-OPIATE RECEPTOR LIGANDS Grünenthal GmbH (DE) 2005-08-10 — — EP disclosed
WO-2004043949-A1 4-SUBSTITUTED 1-AMINOCYCLOHEXANE DERIVATIVES FOR UTILIZATION AS ORL1-RECEPTOR AND MU-OPIATE RECEPTOR LIGANDS Grünenthal GmbH (DE) 2004-05-27 — — WO disclosed
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