SCHEMBL9511929

SCHEMBL9511929

CCCCCCCCCCCCCCCCCCNC(=O)C1CCC(C(=O)NCCCCCCCCCCCCCCCCCC)CC1

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.83
GNAI3 P08754 3/20 0.75
GNAO1 P09471 3/20 0.75
GNAI1 P63096 3/20 0.75
PRCP P42785 2/20 0.64
EPHX1 P07099 4/20 0.57
CNR1 P21554 1/20 0.54
CNR2 P34972 1/20 0.54

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
SCHEMBL1678750 1.00 NAAA (0.83) NAAAGNAI3GNAO1GNAI1PRCP
SCHEMBL377246 0.98 NAAA (0.79) NAAAGNAI3GNAO1GNAI1PRCP
SCHEMBL31252296 0.92 NAAA (0.90) NAAAGNAI3GNAO1GNAI1PRCP
SCHEMBL15189057 0.92 NAAA (0.96) NAAAGNAI3GNAO1GNAI1PRCP
SCHEMBL1679331 0.92 NAAA (0.70) NAAAGNAI3GNAO1GNAI1PRCP
SCHEMBL7538667 0.91 NAAA (0.71) NAAAGNAI3GNAO1GNAI1PRCP
SCHEMBL17694453 0.91 NAAA (1.00) NAAAGNAI3GNAO1GNAI1PRCP
SCHEMBL6267383 0.91 NAAA (1.00) NAAAGNAI3GNAO1GNAI1PRCP
SCHEMBL8847632 0.91 NAAA (1.00) NAAAGNAI3GNAO1GNAI1PRCP
SCHEMBL28832373 0.91 NAAA (1.00) NAAAGNAI3GNAO1GNAI1PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0258923-B1 FABRIC SOFTENING COMPOSITION AND DETERGENT-COMPOSITION COMPRISING THE SAME Akzo Nobel N.V. (NL) 1993-10-06 EP disclosed
US-4851138-A QUATERNARY AMMONIUM, CLAY AND AMIDE, IMIDE OR UREA AKZO, N.V. (NL) 1989-07-25 US disclosed