SCHEMBL3729598

SCHEMBL3729598

O=C(O)CN1CC=Cc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 9/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
SCN4A P35499 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
P2RX1 P51575 3/20 0.38
P2RX3 P56373 3/20 0.38
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
PTBP1 P26599 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
Hydrochloric Acid SCHEMBL28436951 0.98 P2RX4 (0.40) P2RX4CYP2D6CYP2C19POLBCYP2C9
Sulfuric Acid SCHEMBL28577925 0.94 P2RX4 (0.37) P2RX4CYP2D6CYP2C19POLBCYP2C9
Phosphoric Acid SCHEMBL28440442 0.94 P2RX4 (0.37) P2RX4CYP2D6CYP2C19POLBCYP2C9
SCHEMBL28623270 0.86 P2RX4 (0.45) P2RX4CYP2C19CYP2C9KMT2ATSHR
SCHEMBL7403878 0.85 LMNA (0.46) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL28623368 0.81 P2RX4 (0.41) P2RX4CYP2C19CYP2C9KMT2ATSHR
SCHEMBL28634028 0.81 P2RX4 (0.41) P2RX4CYP2C19CYP2C9KMT2ATSHR
SCHEMBL10760089 0.79 CHRM2 (0.38) P2RX4KMT2ALMNATSHRMAPK1
Hydrochloric Acid SCHEMBL11699063 0.78 NPSR1 (0.44) P2RX4KMT2ALMNATSHRMAPK1
SCHEMBL29128835 0.77 MAPK1 (0.33) P2RX4KMT2ALMNATSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100278745-A1 COMPOUNDS FOR FLUORESCENCE IMAGING UNIVERSITE DE GENEVE (CH) 2010-11-04 US disclosed
EP-2114462-A2 COMPOUNDS FOR FLUORESCENCE IMAGING UNIVERSITE DE GENEVE (CH) 2009-11-11 EP disclosed
WO-2008078190-A2 COMPOUNDS FOR FLUORESCENCE IMAGING UNIVERSITE DE GENEVE (US) 2008-07-03 WO disclosed
EP-1250334-B1 Medicaments useful for the treatment of proliferative diseases LILLY CO ELI (US) 2004-05-19 EP disclosed
EP-0664807-A1 QUINOXALINEDIONE DERIVATIVES AS EAA ANTAGONISTS. WARNER LAMBERT CO (US) 1995-08-02 EP disclosed
WO-1994009000-A1 QUINOXALINEDIONE DERIVATIVES AS EAA ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1994-04-28 WO disclosed