SCHEMBL22700682

SCHEMBL22700682

O=C(Nc1cc(F)ccc1N1CCC(OC(=O)c2ccccc2)CC1)C1=CC=NCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 13/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 2/20 0.40
TSHR P16473 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL22700669 0.92 CDK4 (0.44) GPR6
SCHEMBL23196454 0.77 SRPK1 (0.53) GPR6ALDH1A1HPGDMAPT
SCHEMBL22700679 0.72 CDK4 (0.68) GPR6MAPTKMT2A
SCHEMBL24292436 0.69 CDK4 (0.60) ALDH1A1HPGDMAPTGAAKMT2A
SCHEMBL12855741 0.69 KDR (0.64) ALDH1A1HPGDMAPTCYP2C9CYP2C19
SCHEMBL20198520 0.69 NPSR1 (0.72) ALDH1A1HPGDMAPTGAAKMT2A
SCHEMBL23196345 0.67 MAPT (0.52) GPR6ALDH1A1HPGDMAPTGAA
SCHEMBL16697303 0.64 MAPT (0.64) ALDH1A1HPGDMAPTGAAKMT2A
SCHEMBL4453290 0.64 MEN1 (0.69) MAPTGAACYP2C9CYP2C19KMT2A
SCHEMBL1786140 0.64 MEN1 (0.69) MAPTGAACYP2C9CYP2C19KMT2A

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
WO-2020235672-A1 PHARMACEUTICAL COMPOSITION FOR ALZHEIMER'S DISEASE 国立大学法人京都大学 (JP) 2020-11-26 WO disclosed