SCHEMBL4658553

SCHEMBL4658553

CCCCCCCCCCCCCC(N)C(C)=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRIK1 P39086 2/20 0.53
▸ GRIK2 Q13002 2/20 0.53
▸ GNAI3 P08754 1/20 0.51
▸ GNAO1 P09471 1/20 0.51
▸ GNAI1 P63096 1/20 0.51
▸ LAP3 P28838 2/20 0.50
▸ SLC1A2 P43004 1/20 0.50
▸ SLC1A1 P43005 1/20 0.50
▸ DPP7 Q9UHL4 1/20 0.50
▸ GPR84 Q9NQS5 3/20 0.48
▸ SPHK1 Q9NYA1 1/20 0.48
▸ FFAR1 O14842 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ LCK P06239 1/20 0.47
▸ PPARD Q03181 1/20 0.47
▸ ZDHHC20 Q5W0Z9 1/20 0.47
▸ ZDHHC2 Q9UIJ5 1/20 0.47
▸ OPRM1 P35372 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
SCHEMBL28740654 1.00 GRIK1 (0.53) GRIK1GRIK2GNAI3GNAO1GNAI1
SCHEMBL26747668 1.00 GRIK1 (0.53) GRIK1GRIK2GNAI3GNAO1GNAI1
SCHEMBL10136295 1.00 GRIK1 (0.53) GRIK1GRIK2GNAI3GNAO1GNAI1
SCHEMBL17002064 1.00 GRIK1 (0.53) GRIK1GRIK2GNAI3GNAO1GNAI1
SCHEMBL12643425 1.00 GRIK1 (0.53) GRIK1GRIK2GNAI3GNAO1GNAI1
SCHEMBL12643424 1.00 GRIK1 (0.53) GRIK1GRIK2GNAI3GNAO1GNAI1
SCHEMBL10615091 1.00 GRIK1 (0.53) GRIK1GRIK2GNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL1741155 0.98 GRIK1 (0.52) GRIK1GRIK2GNAI3GNAO1GNAI1
SCHEMBL14819881 0.98 GRIK1 (0.52) GRIK1GRIK2GNAI3GNAO1GNAI1
SCHEMBL12082030 0.98 GRIK1 (0.52) GRIK1GRIK2GNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1694630-B1 METHOD FOR PRODUCING CHIRAL OR ENANTIOMER-ENRICHED BETA-AMINO ACIDS, -ALDEHYDES, -KETONES AND GAMMA-AMINO ALCOHOLS DSM FINE CHEM AUSTRIA GMBH (AT) 2008-05-07 — — EP claimed
EP-0979071-B1 MICROPARTICLES USEFUL AS ULTRASONIC CONTRAST AGENTS AND FOR DELIVERY OF DRUGS INTO THE BLOODSTREAM POINT BIOMEDICAL CORP (US) 2007-11-07 — — EP claimed
EP-1474384-A1 BETA-AMINO KETONES FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2004-11-10 — — EP disclosed
WO-2003068731-A1 BETA-AMINO KETONES FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2003-08-21 — — WO disclosed
EP-0428440-B1 Soluble, non-toxic derivatives of basic polyene macrolides, their preparation and use MAYOLY SPINDLER (FR) 1997-03-05 — — EP disclosed
WO-1991007421-A1 NOVEL SOLUBLE AND NON-TOXIC DERIVATIVES OF BASIC POLYENIC MACROLIDES AND THEIR PREPARATION AND USE MAYOLY-SPINDLER (FR) 1991-05-30 — — WO disclosed
EP-0428440-A1 Soluble, non-toxic derivatives of basic polyene macrolides, their preparation and use MAYOLY-SPINDLER (FR) 1991-05-22 — — EP disclosed
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