SCHEMBL15535903

SCHEMBL15535903

OCC12CC3CC(CC(F)(C3)C1)C2

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.36
P2RX7 Q99572 1/20 0.36
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
GRIN3A Q8TCU5 2/20 0.35
POLB P06746 1/20 0.35
SCN9A Q15858 2/20 0.34
THRB P10828 1/20 0.33

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
SCHEMBL602378 0.84 ALDH1A1 (0.52) ALDH1A1LMNAGAAGRIN2DGRIN3B
SCHEMBL21753438 0.78 GRIN2D (0.56) LMNAGAAP2RX7GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL31374405 0.77 GRIN2D (0.54) ALDH1A1LMNAGAAP2RX7GRIN2D
SCHEMBL18788533 0.76 PKM (0.48) ALDH1A1LMNAGAAGRIN2DGRIN3B
SCHEMBL18788534 0.76 PKM (0.48) ALDH1A1LMNAGAAGRIN2DGRIN3B
SCHEMBL1044999 0.76 PKM (0.48) ALDH1A1LMNAGAAGRIN2DGRIN3B
SCHEMBL2574454 0.75 GRIN2D (0.33) LMNAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4752629 0.74 GRIN2D (0.56) ALDH1A1LMNAGAAGRIN2DGRIN3B
SCHEMBL6058620 0.74 GRIN2D (0.64) ALDH1A1LMNAGAAGRIN2DGRIN3B
SCHEMBL1771507 0.74 ALDH1A1 (0.45) ALDH1A1LMNAGAAGRIN2DGRIN3B

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-2855428-A1 N-SUBSTITUTED BENZAMIDES AND THEIR USE IN THE TREATMENT OF PAIN Genentech, Inc. (US) 2015-04-08 EP disclosed
WO-2013177224-A1 N-SUBSTITUTED BENZAMIDES AND THEIR USE IN THE TREATMENT OF PAIN GENENTECH, INC. (US) 2013-11-28 WO disclosed