Oxalic Acid

Oxalic Acid

SCHEMBL9049064

Clc1ccc2[nH]cc(C3CCN(CCc4cnn(-c5ccccc5Br)c4)CC3)c2c1.O=C(O)C(=O)O

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1SLC6A4

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

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 1/20 0.54
OPRK1 P41145 1/20 0.54
OPRL1 P41146 1/20 0.54
HTR6 P50406 3/20 0.45
KCNH2 Q12809 3/20 0.45
KDM4A O75164 5/20 0.43
KDM4B O94953 5/20 0.43
KDM5C P41229 5/20 0.43
KDM5B Q9UGL1 5/20 0.43
KDM2A Q9Y2K7 3/20 0.42
KDM3A Q9Y4C1 2/20 0.42
CCR2 P41597 4/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
Oxalic Acid SCHEMBL9048237 0.92 OPRM1 (0.55) OPRM1OPRK1OPRL1HTR6KCNH2
Oxalic Acid SCHEMBL9034341 0.91 OPRM1 (0.54) OPRM1OPRK1OPRL1HTR6KCNH2
Oxalic Acid SCHEMBL9048518 0.90 OPRM1 (0.58) OPRM1OPRK1OPRL1HTR6KCNH2
Oxalic Acid SCHEMBL9047850 0.89 OPRM1 (0.52) OPRM1OPRK1OPRL1HTR6KCNH2
Oxalic Acid SCHEMBL9049148 0.87 OPRM1 (0.55) OPRM1OPRK1OPRL1HTR6KCNH2
Oxalic Acid SCHEMBL9044366 0.87 OPRM1 (0.51) OPRM1OPRK1OPRL1HTR6KCNH2
SCHEMBL7466986 0.86 OPRM1 (0.56) OPRM1OPRK1OPRL1HTR6KCNH2
Oxalic Acid SCHEMBL9045773 0.84 OPRM1 (0.51) OPRM1OPRK1OPRL1HTR6KCNH2
Oxalic Acid SCHEMBL9048940 0.84 OPRM1 (0.51) OPRM1OPRK1OPRL1KDM4AKDM4B
Oxalic Acid SCHEMBL9046671 0.84 OPRM1 (0.51) OPRM1OPRK1OPRL1HTR6KCNH2

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
EP-0708102-A1 5-HT1F agonists for the treatment of migraine ELI LILLY AND COMPANY (US) 1996-04-24 EP disclosed