SCHEMBL7775720

SCHEMBL7775720

C=CCNC(=O)N1c2ccccc2C=Cc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.67
P2RX4 Q99571 13/20 0.61
GRIN1 Q05586 3/20 0.53
GRIN2A Q12879 3/20 0.53
GRIN2B Q13224 3/20 0.53
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
SCN4A P35499 1/20 0.49
SCN5A Q14524 1/20 0.49
SCN9A Q15858 1/20 0.49
P2RX1 P51575 4/20 0.48
P2RX3 P56373 4/20 0.48
P2RX7 Q99572 3/20 0.48
PTBP1 P26599 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL15920342 0.79 P2RX4 (0.67) P2RX4GRIN1GRIN2AGRIN2BMTNR1A
SCHEMBL11721111 0.75 P2RX4 (0.71) P2RX4GRIN1GRIN2AGRIN2BMTNR1A
SCHEMBL11727362 0.75 P2RX4 (0.74) P2RX4GRIN1GRIN2AGRIN2BMTNR1A
SCHEMBL15603438 0.74 P2RX4 (0.66) P2RX4GRIN1GRIN2AGRIN2BMTNR1A
SCHEMBL11113845 0.73 P2RX4 (0.67) P2RX4GRIN1GRIN2AGRIN2BMTNR1A
SCHEMBL11577183 0.73 P2RX4 (0.49) KMT2AP2RX4GRIN1GRIN2AGRIN2B
SCHEMBL11039708 0.73 GRIN1 (0.92) P2RX4GRIN1GRIN2AGRIN2BLMNA
SCHEMBL11770681 0.73 P2RX4 (0.71) P2RX4GRIN1GRIN2AGRIN2BMTNR1A
SCHEMBL13051502 0.73 BCHE (0.68) P2RX4GRIN1GRIN2AGRIN2BMTNR1A
Hydrochloric Acid SCHEMBL11574541 0.72 P2RX4 (0.48) KMT2AP2RX4GRIN1GRIN2AGRIN2B

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-0277095-B2 Method for preparing N,N-(dibenzohexatrienylene) ureas NOVARTIS AG (CH) 2001-09-05 EP disclosed
EP-0277095-B1 METHOD FOR PREPARING N,N-(DIBENZOHEXATRIENYLENE) UREAS Novartis AG (CH) 1992-04-01 EP disclosed