SCHEMBL9336513

SCHEMBL9336513

NCCCCCC(CCc1ccccc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 6/20 0.67
▸ GRIK1 P39086 1/20 0.55
▸ MAOA P21397 1/20 0.52
▸ CPA1 P15085 1/20 0.51
▸ CPA2 P48052 1/20 0.51
▸ CPA4 Q9UI42 1/20 0.51
▸ FOLH1 Q04609 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ LAP3 P28838 1/20 0.46
▸ ERAP2 Q6P179 1/20 0.46
▸ ERAP1 Q9NZ08 1/20 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
SCHEMBL27953598 0.93 CPB2 (0.58) CPB2GRIK1MAOACPA1CPA2
SCHEMBL19438906 0.87 GRIK1 (0.67) CPB2GRIK1MAOAFOLH1CYP1A2
SCHEMBL1862995 0.86 GRIK1 (0.61) CPB2GRIK1FOLH1CYP1A2
SCHEMBL4023050 0.85 FOLH1 (0.66) CPB2CPA1FOLH1CYP1A2ERAP2
SCHEMBL4016996 0.85 FOLH1 (0.66) CPB2CPA1FOLH1CYP1A2ERAP2
SCHEMBL4017000 0.85 FOLH1 (0.66) CPB2CPA1FOLH1CYP1A2ERAP2
SCHEMBL1860416 0.84 GRIK1 (0.68) CPB2GRIK1FOLH1CYP1A2LAP3
SCHEMBL1857365 0.84 CYP1A2 (0.61) CPB2GRIK1CPA1FOLH1CYP1A2
SCHEMBL8868645 0.84 GRIK1 (0.51) CPB2GRIK1CPA1FOLH1CYP1A2
SCHEMBL7077500 0.84 MMP2 (0.55) CPB2GRIK1

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-0594692-A1 CHOLECYSTOKININ ANTAGONISTS USEFUL IN THE TREATMENT OF PANIC ATTACKS WARNER-LAMBERT COMPANY (US) 1994-05-04 — — EP disclosed
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