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Phthalic Acid

Phthalic Acid

SCHEMBL9045536

CCCc1cccc(-n2cc(CCN3CC=C(c4c[nH]c5ccc(Cl)cc45)CC3)cn2)c1.O=C(O)c1ccccc1C(=O)O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.53
▸ OPRK1 P41145 1/20 0.53
▸ DRD2 P14416 15/20 0.47
▸ HTR1A P08908 14/20 0.46
▸ SLC6A4 P31645 14/20 0.46
▸ HTR7 P34969 14/20 0.46
▸ HTR6 P50406 14/20 0.46

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
Phthalic Acid SCHEMBL30909196 1.00 OPRM1 (0.53) OPRM1OPRK1DRD2HTR1ASLC6A4
Phthalic Acid SCHEMBL9045679 0.83 OPRM1 (0.51) OPRM1OPRK1DRD2HTR1ASLC6A4
Phthalic Acid SCHEMBL30909062 0.83 OPRM1 (0.51) OPRM1OPRK1DRD2HTR1ASLC6A4
SCHEMBL7458881 0.78 OPRM1 (0.58) OPRM1OPRK1DRD2HTR1ASLC6A4
SCHEMBL7465475 0.76 HTR1A (0.57) OPRM1OPRK1DRD2HTR1A
Tepirindole SCHEMBL635174 0.72 SLC6A4 (0.72) OPRM1OPRK1DRD2HTR1ASLC6A4
Tepirindole SCHEMBL29710897 0.72 SLC6A4 (0.72) OPRM1OPRK1DRD2HTR1ASLC6A4
Tepirindole SCHEMBL11307437 0.72 SLC6A4 (0.72) OPRM1OPRK1DRD2HTR1ASLC6A4
SCHEMBL14280720 0.71 OPRM1 (1.00) OPRM1OPRK1DRD2HTR1ASLC6A4
SCHEMBL7455854 0.70 HTR1A (0.60) OPRM1OPRK1DRD2HTR1A

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