SCHEMBL5779969

SCHEMBL5779969

O=C(NC1CCCCC1)[C@@H]1N(C(=O)NC2CCCCC2)c2ccccc2C12CCNCC2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.44
P2RX3 P56373 1/20 0.44
P2RX4 Q99571 1/20 0.44
P2RX7 Q99572 1/20 0.44
BCHE P06276 3/20 0.43
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 2/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.37
EPHX2 P34913 1/20 0.37
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL5599857 0.78 RAB9A (0.40) P2RX1P2RX3P2RX4P2RX7BCHE
SCHEMBL5599511 0.69 TP53 (0.39) RAB9ANPC1ALDH1A1POLBCNR1
SCHEMBL4115213 0.68 HSD11B1 (0.39) ALDH1A1EPHX2
SCHEMBL5783158 0.67 BCHE (0.38) BCHETSHRALDH1A1POLBNPSR1
SCHEMBL5781865 0.66 BCHE (0.36) BCHETSHRALDH1A1POLB
SCHEMBL5782188 0.65 MEN1 (0.41) RAB9ANPC1LMNA
SCHEMBL2801668 0.64 NOTUM (0.40) NPSR1
SCHEMBL13276088 0.63 LMNA (0.59) P2RX1P2RX3P2RX4P2RX7BCHE
SCHEMBL1861699 0.63 LMNA (0.59) P2RX1P2RX3P2RX4P2RX7BCHE
SCHEMBL1865417 0.63 LMNA (0.59) P2RX1P2RX3P2RX4P2RX7BCHE

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-1716148-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF Arena Pharmaceuticals, Inc. (US) 2006-11-02 EP claimed
WO-2005063745-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2005-07-14 WO claimed