SCHEMBL11113845

SCHEMBL11113845

CNC(=O)N1c2ccccc2C=Cc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 14/20 0.67
BCHE P06276 1/20 0.61
ACHE P22303 1/20 0.61
LMNA P02545 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
SCN4A P35499 1/20 0.58
SCN5A Q14524 1/20 0.58
SCN9A Q15858 1/20 0.58
P2RX1 P51575 5/20 0.56
P2RX3 P56373 5/20 0.56
P2RX7 Q99572 3/20 0.56
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
PTBP1 P26599 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GRIN1 Q05586 2/20 0.50
GRIN2A Q12879 2/20 0.50
GRIN2B Q13224 2/20 0.50

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
SCHEMBL15603438 0.82 P2RX4 (0.66) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL15920342 0.80 P2RX4 (0.67) P2RX4BCHELMNATSHRMAPK1
SCHEMBL14714325 0.79 P2RX4 (0.67) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL11114101 0.79 BCHE (0.50) P2RX4BCHEACHELMNATSHR
SCHEMBL7980250 0.78 P2RX4 (0.67) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL11112161 0.77 BCHE (0.49) P2RX4BCHEACHELMNATSHR
SCHEMBL9555484 0.77 P2RX4 (1.00) P2RX4BCHELMNATSHRMAPK1
SCHEMBL220291 0.77 P2RX4 (0.58) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL21473321 0.75 P2RX4 (0.57) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL11118498 0.75 BCHE (0.47) P2RX4BCHEACHELMNATSHR

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-0108715-A1 Dibenzazepine carboxamides CIBA-GEIGY AG (CH) 1984-05-16 EP claimed
WO-2014097137-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF SEIZURES AND NEUROLOGIC DISEASES KANDULA MAHESH (IN) 2014-06-26 WO disclosed
EP-0108715-A1 Dibenzazepine carboxamides CIBA-GEIGY AG (CH) 1984-05-16 EP disclosed