SCHEMBL15920342

SCHEMBL15920342

CCNC(=O)N1c2ccccc2C=Cc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 12/20 0.67
BCHE P06276 1/20 0.64
GAA P10253 1/20 0.64
MAPT P10636 1/20 0.64
MTNR1A P48039 2/20 0.58
MTNR1B P49286 2/20 0.58
GRIN1 Q05586 3/20 0.57
GRIN2A Q12879 3/20 0.57
GRIN2B Q13224 3/20 0.57
P2RX1 P51575 4/20 0.57
P2RX3 P56373 4/20 0.57
P2RX7 Q99572 3/20 0.57
PTBP1 P26599 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
LMNA P02545 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
SCN4A P35499 1/20 0.53
SCN5A Q14524 1/20 0.53

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
SCHEMBL11113845 0.80 P2RX4 (0.67) P2RX4BCHEMTNR1AMTNR1BGRIN1
SCHEMBL13051502 0.80 BCHE (0.68) P2RX4BCHEMTNR1AMTNR1BGRIN1
SCHEMBL13875724 0.79 GRIN1 (0.76) P2RX4BCHEGRIN1GRIN2AGRIN2B
SCHEMBL11721111 0.79 P2RX4 (0.71) P2RX4BCHEMAPTMTNR1AMTNR1B
SCHEMBL7775720 0.79 KMT2A (0.67) P2RX4MTNR1AMTNR1BGRIN1GRIN2A
SCHEMBL11727362 0.79 P2RX4 (0.74) P2RX4BCHEMTNR1AMTNR1BGRIN1
SCHEMBL15603438 0.78 P2RX4 (0.66) P2RX4MTNR1AMTNR1BGRIN1GRIN2A
SCHEMBL16363121 0.78 MAPT (0.62) BCHEGAAMAPTMTNR1AMTNR1B
SCHEMBL11770681 0.76 P2RX4 (0.71) P2RX4BCHEMTNR1AMTNR1BGRIN1
SCHEMBL11039708 0.76 GRIN1 (0.92) P2RX4GRIN1GRIN2AGRIN2BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014115098-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEUROLOGICAL DISEASES AND INFLAMMATION KANDULA MAHESH (IN) 2014-07-31 WO disclosed