SCHEMBL8412306

SCHEMBL8412306

CCCN1C(N2CCN(c3cccc(F)c3)CC2)C2(OCCO2)c2ccccc2S1(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.41
ALDH1A1 P00352 2/20 0.35
GRM2 Q14416 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SCD O00767 1/20 0.34
CACNA1G O43497 2/20 0.33
ADAMTS5 Q9UNA0 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
DRD2 P14416 2/20 0.32
MMP2 P08253 1/20 0.32

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
SCHEMBL8410575 0.90 HTR7 (0.38) HTR7SMN1; SMN2MEN1KMT2ADRD2
SCHEMBL8411966 0.88 DRD2 (0.47) HTR7ALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL8410568 0.85 HSD17B10 (0.38) HTR7ALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL8412315 0.84 HTR7 (0.39) HTR7GRM2SMN1; SMN2DRD2
SCHEMBL8519203 0.84 DRD2 (0.39) HTR7ALDH1A1KDM4EPOLBMAPT
SCHEMBL8413058 0.84 HTR7 (0.36) HTR7ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL8411972 0.83 DRD2 (0.43) HTR7ALDH1A1MEN1MAPTKMT2A
SCHEMBL8413215 0.82 HTR1A (0.38) HTR7ALDH1A1KDM4EMAPTDRD2
SCHEMBL8412318 0.82 HTR7 (0.38) HTR7ALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL8413390 0.81 ADRB1 (0.37) HTR7ALDH1A1

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
US-5874429-A ANTIISCHEMIC AGENTS; CEREBROVASCULAR DISORDERS; CIRCULATORY IDSORDERS SUNTORY LIMITED (JP) 1999-02-23 US disclosed