SCHEMBL21802504

SCHEMBL21802504

O=C(O)N1CCN(Cc2ccc(N3CCCC3)c(F)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 4/20 0.48
HPGD P15428 3/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
FAAH O00519 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 1/20 0.43
CACNA1G O43497 1/20 0.43
EEF2K O00418 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL2933405 0.83 ALDH1A1 (0.61) ALDH1A1HTTTSHRFAAHSMN1; SMN2
SCHEMBL2233426 0.81 FAAH (0.48) ALDH1A1HTTFAAH
SCHEMBL15093778 0.81 MGLL (0.66)
SCHEMBL15264489 0.81 MGLL (0.48) ALDH1A1HTTMAPTHPGDTSHR
SCHEMBL19212181 0.78 KMT2A (0.47) ALDH1A1MAPTHPGDTSHRNPC1
SCHEMBL21802533 0.78 PDE2A (0.46) MEN1KMT2AFAAH
SCHEMBL8250758 0.78 IDO1 (0.50) ALDH1A1HTTMAPTHPGDTSHR
SCHEMBL28129037 0.78 ALDH1A1 (0.54) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL21802556 0.77 HTR7 (0.53) CACNA1GHRH3
SCHEMBL21618404 0.77 FAAH (0.53) ALDH1A1HTTTSHRFAAHSMN1; SMN2

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-2800565-B1 CARBAMATE COMPOUNDS AND METHODS OF MAKING AND USING SAME LUNDBECK LA JOLLA RESEARCH CENTER INC (US) 2020-03-25 EP claimed