SCHEMBL9420574

SCHEMBL9420574

C=C(C(N)=O)N1CC=Cc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
SCN4A P35499 1/20 0.45
SCN5A Q14524 1/20 0.45
SCN9A Q15858 1/20 0.45
P2RX4 Q99571 15/20 0.37
P2RX1 P51575 6/20 0.36
P2RX3 P56373 6/20 0.36
P2RX7 Q99572 3/20 0.34
PTBP1 P26599 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SCN2A Q99250 1/20 0.32
AMPD2 Q01433 1/20 0.32

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
SCHEMBL7035186 0.84 LMNA (0.47) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL1286806 0.83 LMNA (0.55) LMNATSHRMAPK1SCN4ASCN5A
Hydrochloric Acid SCHEMBL28145471 0.82 LMNA (0.53) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL29376182 0.78 P2RX4 (0.44) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL3375661 0.78 P2RX4 (0.44) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL1477941 0.77 NOTUM (0.46) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL28115945 0.76 LMNA (0.39) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL3241414 0.76 P2RX4 (0.42) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL8705933 0.74 P2RX4 (0.57) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL27785934 0.73 P2RX4 (0.58) LMNATSHRMAPK1SCN4ASCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0379305-B1 Low odor adhesive compositions MINNESOTA MINING & MFG (US) 1994-05-11 EP disclosed
US-4945006-A UNSATURATED CYCLIC AMIDES, ANAEROBIC PROCESS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-07-31 US disclosed
EP-0379305-A1 Low odor adhesive compositions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-07-25 EP disclosed