SCHEMBL8338588

SCHEMBL8338588

COC(=O)[C@@H]1CC(Oc2ccc3c(c2)OCC3)CN1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.45
PTPN1 P18031 1/20 0.41
PRMT5 O14744 2/20 0.40
WDR77 Q9BQA1 2/20 0.40
MCL1 Q07820 11/20 0.39
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
ACSL1 P33121 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 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
SCHEMBL3191232 1.00 P2RX3 (0.45) P2RX3PTPN1PRMT5WDR77MCL1
SCHEMBL3179833 1.00 P2RX3 (0.45) P2RX3PTPN1PRMT5WDR77MCL1
SCHEMBL3183919 0.90 PRMT5 (0.41) P2RX3PRMT5WDR77MCL1NR1H2
SCHEMBL8342839 0.90 PRMT5 (0.41) P2RX3PRMT5WDR77MCL1NR1H2
SCHEMBL13481581 0.87 PRMT5 (0.39) P2RX3PTPN1PRMT5WDR77MCL1
SCHEMBL13481650 0.84 PRMT5 (0.42) PRMT5WDR77MCL1NR1H2HRH3
SCHEMBL30065361 0.81 P2RX3 (0.45) P2RX3PTPN1MCL1NR1H2NR1H3
SCHEMBL24740458 0.81 P2RX3 (0.51) P2RX3PTPN1MCL1NR1H2NR1H3
SCHEMBL2434896 0.80 P2RX3 (0.50) P2RX3PTPN1MCL1NR1H2NR1H3
SCHEMBL6846802 0.80 P2RX3 (0.53) P2RX3PTPN1MCL1NR1H2NR1H3

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-2004039367-A1 PROLINE DERIVATIVES HAVING AFFINITY FOR THE CALCIUM CHANNEL ALPHA-2-DELTA SUBUNIT PFIZER LIMITED (GN) 2004-05-13 WO disclosed