SCHEMBL8423850

SCHEMBL8423850

C#CCNC(=O)N1N=CC=Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 9/20 0.37
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
NAMPT P43490 1/20 0.36
KDM5B Q9UGL1 1/20 0.34
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
RIPK1 Q13546 1/20 0.33
PTBP1 P26599 1/20 0.33
P2RX1 P51575 1/20 0.33
P2RX3 P56373 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
P2RX7 Q99572 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
SCHEMBL27285585 0.78 LMNA (0.40) P2RX4MTNR1AMTNR1BGRIN1GRIN2A
SCHEMBL2979170 0.76 P2RX4 (0.42) P2RX4MTNR1AMTNR1BPTBP1P2RX1
SCHEMBL5068751 0.74 P2RX4 (0.42) P2RX4MTNR1AMTNR1BPTBP1P2RX1
SCHEMBL7334705 0.73 LMNA (0.51) P2RX4MTNR1AMTNR1BPTBP1P2RX1
SCHEMBL11741313 0.72 P2RX4 (0.43) P2RX4MTNR1AMTNR1BPTBP1P2RX1
SCHEMBL15865153 0.72 LMNA (0.40) P2RX4MTNR1AMTNR1BGRIN1GRIN2A
SCHEMBL3100027 0.71 P2RX4 (0.54) P2RX4P2RX1P2RX3SMN1; SMN2NPSR1
SCHEMBL5806375 0.70 LMNA (0.37) P2RX4MTNR1AMTNR1BRIPK1PTBP1
SCHEMBL6994927 0.69 BCHE (0.43) P2RX4P2RX1P2RX3SMN1; SMN2P2RX7
SCHEMBL5747843 0.68 LMNA (0.40) P2RX4MTNR1AMTNR1BP2RX1P2RX3

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
US-5962450-A SEDATIVE HOFFMANN-LA ROCHE INC. (US) 1999-10-05 US disclosed
US-5885986-A CLEAVING, N-ALKYLATING AND REDUCING THE INTERMEDIATE FORMED BY REACTING AN OXAZOLYL AND THIAZOLYLIMIDAZOBENZO AND THIENODIAZEPINE DERIVATIVES WITH AMINE COMPOUNDS; USED AS ANXIOLYTIC AND ANTICONVULSANT OR SEDATIVE-HYPNOTIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1999-03-23 US disclosed