SCHEMBL29337168

SCHEMBL29337168

Cc1cccc([C@H](N)[C@H](C)O)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.42
NOS2 P35228 1/20 0.42
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
CCR1 P32246 1/20 0.40
CCR8 P51685 1/20 0.40
P2RX7 Q99572 1/20 0.37
MAP4K4 O95819 1/20 0.37
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FDPS P14324 1/20 0.34
FDFT1 P37268 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
XIAP P98170 2/20 0.33
BIRC2 Q13490 2/20 0.33
TSHR P16473 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
FAAH O00519 1/20 0.33
METAP2 P50579 1/20 0.32

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
SCHEMBL19151578 0.82 NOS3 (0.46) NOS3NOS2HTTRECQLCCR1
SCHEMBL20738702 0.81 HTT (0.41) NOS3NOS2HTTRECQLCCR1
SCHEMBL24925771 0.80 HTT (0.43) NOS3NOS2HTTRECQLCCR1
SCHEMBL18793683 0.79 NOS3 (0.48) NOS3NOS2HTTRECQLCCR1
SCHEMBL24375835 0.79 CCR1 (0.46) NOS3NOS2HTTRECQLCCR1
SCHEMBL507316 0.79 CCR1 (0.46) NOS3NOS2HTTRECQLCCR1
SCHEMBL25170530 0.79 NOS3 (0.48) NOS3NOS2HTTRECQLCCR1
SCHEMBL507079 0.79 CCR1 (0.46) NOS3NOS2HTTRECQLCCR1
SCHEMBL29793597 0.79 NOS3 (0.48) NOS3NOS2HTTRECQLCCR1
SCHEMBL1509600 0.79 NOS3 (0.48) NOS3NOS2HTTRECQLCCR1

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
EP-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 EP disclosed