SCHEMBL7439191

SCHEMBL7439191

O=C(O)C(CCc1ccccc1)CC(CCc1ccccc1)C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.64
CYP1A2 P05177 1/20 0.59
CPA3 P15088 3/20 0.53
CPA1 P15085 2/20 0.52
FOLH1 Q04609 1/20 0.52
CPB1 P15086 1/20 0.52
CPB2 Q96IY4 1/20 0.52
SLC1A3 P43003 1/20 0.52
SLC1A2 P43004 1/20 0.52
SLC1A1 P43005 1/20 0.52
LAP3 P28838 3/20 0.51
ERAP2 Q6P179 2/20 0.51
ERAP1 Q9NZ08 2/20 0.51
ANPEP P15144 1/20 0.51

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
SCHEMBL7439193 1.00 GRIK1 (0.64) GRIK1CYP1A2CPA3CPA1FOLH1
SCHEMBL7439419 1.00 GRIK1 (0.64) GRIK1CYP1A2CPA3CPA1FOLH1
SCHEMBL1857365 0.93 CYP1A2 (0.61) GRIK1CYP1A2CPA3CPA1FOLH1
Water SCHEMBL4010621 0.91 CYP1A2 (0.59) GRIK1CYP1A2CPA3CPA1FOLH1
SCHEMBL28226603 0.91 GRIK1 (0.55) GRIK1CPA1ERAP2ERAP1ANPEP
SCHEMBL7431874 0.89 GRIK1 (0.54) GRIK1CYP1A2CPA3SLC1A3SLC1A2
SCHEMBL3449543 0.89 GRIK1 (0.82) GRIK1SLC1A3SLC1A2SLC1A1
SCHEMBL27651190 0.89 GRIK1 (0.82) GRIK1SLC1A3SLC1A2SLC1A1
SCHEMBL27704655 0.89 GRIK1 (0.82) GRIK1SLC1A3SLC1A2SLC1A1
SCHEMBL16898110 0.88 CYP1A2 (0.55) GRIK1CYP1A2CPA3CPA1FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5166212-A Hypotensive agents, analgesics CIBA-GEIGY CORPORATION (US) 1992-11-24 US disclosed
US-5096925-A N-substituted butyramide derivatives CIBA-GEIGY CORPORATION (US) 1992-03-17 US disclosed
US-5021430-A Enkephalinase inhibitors, analgesics, hypotensives CIBA-GEIGY CORPORATION (US) 1991-06-04 US disclosed
US-4939261-A ANALGESICS, ANTIDEPRESSANTS, HYPOTENSIVE AGENTS, NEUROLEPTIC AGENTS CIBA-GEIGY CORPORATION (US) 1990-07-03 US disclosed
EP-0185079-B1 N-SUBSTITUTED BUTYRAMIDE DERIVATIVES CIBA-GEIGY AG (CH) 1988-10-19 EP disclosed
EP-0225292-A2 Certain N-substituted butyramide derivatives CIBA-GEIGY AG (CH) 1987-06-10 EP disclosed
EP-0185079-A1 CIBA GEIGY AG 1986-06-25 EP disclosed
WO-1986000066-A1 N-SUBSTITUTED BUTYRAMIDE DERIVATIVES CIBA-GEIGY AG (CH) 1986-01-03 WO disclosed