SCHEMBL13729147

SCHEMBL13729147

COc1cc2c(OC)cncc2cc1F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 12/20 0.38
TRPA1 O75762 1/20 0.37
FLT1 P17948 1/20 0.37
CYP19A1 P11511 1/20 0.37
ALDH1A1 P00352 1/20 0.36
EGFR P00533 1/20 0.36
PDPK1 O15530 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
P2RX3 P56373 1/20 0.35
P2RX2 Q9UBL9 1/20 0.35

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
SCHEMBL26317676 0.76 PDE10A (0.43) PDE10ATRPA1PDGFRBPDGFRA
SCHEMBL13728481 0.76 PDE10A (0.43) PDE10ATRPA1PDGFRBPDGFRA
SCHEMBL4886374 0.76 PDE10A (0.44) PDE10A
SCHEMBL13686750 0.73 MAOA (0.51) TRPA1CYP19A1ALDH1A1PDGFRBPDGFRA
SCHEMBL1705716 0.73 MAOA (0.51) TRPA1CYP19A1ALDH1A1PDGFRBPDGFRA
SCHEMBL13830326 0.70 P2RX3 (0.38) PDE10ATRPA1FLT1ALDH1A1EGFR
SCHEMBL30824358 0.70 CYP11B1 (0.53) PDE10AEGFR
SCHEMBL15647524 0.70 CYP11B1 (0.53) PDE10AEGFR
SCHEMBL2937347 0.70 LMNA (0.46) P2RX3P2RX2
SCHEMBL4729352 0.69 IDO1 (0.42) PDE10ACYP19A1ALDH1A1EGFR

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
EP-2909205-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2015-08-26 EP disclosed
WO-2014062196-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-24 WO disclosed
EP-2721053-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2014-04-23 EP disclosed
EP-2705049-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2014-03-12 EP disclosed
WO-2012173983-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-20 WO disclosed
WO-2012151195-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-08 WO disclosed