SCHEMBL20344608

SCHEMBL20344608

Cc1cccc(N)c1OC[C@@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
SCN4A P35499 7/20 0.41
CYP2D6 P10635 3/20 0.41
LMNA P02545 2/20 0.41
SCN1A P35498 2/20 0.41
SCN5A Q14524 2/20 0.41
SCN9A Q15858 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
NFKB1 P19838 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C9 P11712 1/20 0.41
KCNK3 O14649 1/20 0.41
CACNA1F O60840 1/20 0.41
KCNK2 O95069 1/20 0.41
GBA1 P04062 1/20 0.41
MAOA P21397 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL4103832 0.91 CNR1 (0.48) CNR1SCN4ACYP2D6LMNASCN1A
SCHEMBL1562481 0.86 PPARA (0.50) TSHR
SCHEMBL1562478 0.86 PPARA (0.50) TSHR
SCHEMBL28602972 0.80 AAK1 (0.46) AAK1CA1CA2CA4CA7
SCHEMBL14830464 0.80 AAK1 (0.46) LMNAAAK1HSD17B10CA1CA2
SCHEMBL14830463 0.80 AAK1 (0.46) LMNAAAK1HSD17B10CA1CA2
SCHEMBL11964599 0.80 CNR1 (0.43) CNR1SCN4ACYP2D6LMNASCN1A
SCHEMBL11953258 0.78 CNR1 (0.41) CNR1CYP2D6TSHRAAK1NR3C1
SCHEMBL11953250 0.78 CNR1 (0.41) CNR1SCN4ACYP2D6LMNASCN1A
SCHEMBL10255746 0.78 HDAC4 (0.43) CNR1SCN4ACYP2D6LMNASCN1A

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-3375780-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-06-03 EP disclosed
EP-3508484-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-07-10 EP disclosed
EP-3342771-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2018-07-04 EP disclosed