SCHEMBL10345841

SCHEMBL10345841

CC(=O)C1=CNc2ccccc2C=C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
GAA P10253 4/20 0.42
P2RX4 Q99571 7/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
RAB9A P51151 1/20 0.36
P2RX1 P51575 3/20 0.34
P2RX3 P56373 3/20 0.34
P2RX7 Q99572 2/20 0.34
PTBP1 P26599 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MTNR1A P48039 2/20 0.31
MTNR1B P49286 2/20 0.31
MEN1 O00255 1/20 0.31
CYBB P04839 1/20 0.31
APP P05067 1/20 0.31
ALOX15 P16050 1/20 0.31
SNCA P37840 1/20 0.31
KMT2A Q03164 1/20 0.31
NOX3 Q9HBY0 1/20 0.31
NOX4 Q9NPH5 1/20 0.31

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
SCHEMBL2723647 0.84 MAPT (0.43) MAPTGAAP2RX4SMN1; SMN2RAB9A
SCHEMBL3997603 0.82 MAPT (0.42) MAPTGAAP2RX4SMN1; SMN2RAB9A
SCHEMBL27389284 0.81 MAPT (0.43) MAPTGAAP2RX4SMN1; SMN2RAB9A
SCHEMBL2722544 0.75 GAA (0.42) MAPTGAAP2RX4KMT2ALMNA
SCHEMBL9390020 0.72 MAPT (0.52) MAPTGAAP2RX4SMN1; SMN2RAB9A
SCHEMBL7328852 0.71 MAPT (0.50) MAPTGAAP2RX4SMN1; SMN2RAB9A
SCHEMBL4770605 0.70 MAPT (0.45) MAPTGAAP2RX4SMN1; SMN2RAB9A
SCHEMBL4792080 0.70 MAPT (0.41) MAPTGAAP2RX4SMN1; SMN2RAB9A
SCHEMBL30890804 0.70 MAPT (0.41) MAPTGAAP2RX4SMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL15414087 0.69 BIRC2 (0.36) MAPTGAAP2RX4SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0230755-B1 1-PHENYL-3-BENZAZEPINES SMITHKLINE BEECHAM CORPORATION (US) 1990-05-16 EP disclosed
US-4707483-A 1-phenyl-3-benzazepines and their use for treating gastrointestinal motility disorders SMITHKLINE BECKMAN CORPORATION (US) 1987-11-17 US disclosed
EP-0230755-A1 1-Phenyl-3-benzazepines SMITHKLINE BEECHAM CORPORATION (US) 1987-08-05 EP disclosed