SCHEMBL21868503

SCHEMBL21868503

Cc1cnccc1-c1ccc(CN2CCN(C=O)CC2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ GPR6 P46095 2/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ PDE2A O00408 2/20 0.37
▸ RORC P51449 2/20 0.36
▸ KIT P10721 1/20 0.36
▸ FABP6 P51161 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36

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
SCHEMBL20198122 0.86 RPS6KA3 (0.45) GPR6PDE2ARORCKIT
SCHEMBL15264672 0.84 ALDH1A1 (0.47) ALDH1A1MAPK1GPR6JAK2JAK1
SCHEMBL15264465 0.80 GPR6 (0.38) PDE3BPDE3AGPR6JAK2JAK1
SCHEMBL15266644 0.77 CHRM1 (0.47) PDE3BPDE3A
SCHEMBL30074248 0.77 MGLL (0.55) —
SCHEMBL15267044 0.77 ALDH1A1 (0.45) ALDH1A1GAAPDE3BPDE3AJAK2
SCHEMBL15094923 0.77 MGLL (0.55) —
SCHEMBL20411307 0.76 MGLL (0.38) ALDH1A1MAPK1GPR6JAK2JAK1
SCHEMBL20198123 0.75 ALDH1A1 (0.43) ALDH1A1MAPK1GAAKMT2AJAK2
SCHEMBL15265210 0.73 GRIN2B (0.50) ALDH1A1KMT2AJAK2JAK1TYK2

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
EP-3698782-A1 CARBAMATE COMPOUNDS FOR USE IN THERAPY Lundbeck La Jolla Research Center, Inc. (US) 2020-08-26 — — EP disclosed
EP-2800565-B1 CARBAMATE COMPOUNDS AND METHODS OF MAKING AND USING SAME LUNDBECK LA JOLLA RESEARCH CENTER INC (US) 2020-03-25 — — EP disclosed
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