SCHEMBL30848679

SCHEMBL30848679

COc1ccccc1C(=O)NC12CC(F)(C1)C2

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.64
FAAH O00519 1/20 0.64
CTSD P07339 1/20 0.54
NPC1 O15118 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
STAT3 P40763 1/20 0.51
RAB9A P51151 3/20 0.50
GAA P10253 2/20 0.50
KCNK3 O14649 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49
HPGD P15428 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL30014039 0.99 CNR2 (0.63) CNR2FAAHCTSDNPC1SMN1; SMN2
SCHEMBL30848464 0.85 CNR2 (0.60) CNR2FAAHCTSDNPC1SMN1; SMN2
SCHEMBL30848467 0.81 CNR2 (0.89) CNR2FAAHCTSDSTAT3HPGD
SCHEMBL30848451 0.80 HPGD (0.47) NPC1SMN1; SMN2RAB9AHPGDMAPK1
SCHEMBL6085774 0.78 CNR2 (1.00) CNR2FAAHHPGDMAPTTSHR
SCHEMBL30848613 0.77 FAAH (0.61) CNR2FAAHCTSDNPC1SMN1; SMN2
SCHEMBL30855446 0.76 FAAH (0.59) CNR2FAAHCTSDNPC1SMN1; SMN2
SCHEMBL30848628 0.75 FAAH (0.56) CNR2FAAHCTSDNPC1SMN1; SMN2
SCHEMBL3927357 0.74 CTSD (0.68) CTSDNPC1SMN1; SMN2STAT3RAB9A
SCHEMBL528651 0.74 CTSD (0.68) CTSDNPC1SMN1; SMN2STAT3RAB9A

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
CN-118043327-A FGFR inhibitors and methods of use thereof 思康睿奇(上海)药业有限公司 2024-05-14 CN claimed
CN-118043327-A FGFR inhibitors and methods of use thereof 思康睿奇(上海)药业有限公司 2024-05-14 CN disclosed