SCHEMBL8410144

SCHEMBL8410144

CCCN1C(N2CCC(C(=O)c3ccc(F)cc3)CC2)C2(OCCO2)c2ccc(OC)cc2S1(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.45
SLC18A3 Q16572 8/20 0.41
DRD2 P14416 2/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GLA P06280 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 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
SCHEMBL8412317 0.94 HSD11B1 (0.46) HSD11B1ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL8412316 0.85 MEN1 (0.39) ALDH1A1LMNADRD2GAAMAPK1
SCHEMBL8413553 0.84 HSD11B1 (0.45) HSD11B1ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL6995219 0.75 DRD2 (0.45) HSD11B1ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL8409854 0.75 CYP2C19 (0.45) HSD11B1ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL8413133 0.75 CYP2D6 (0.42) HSD11B1ALDH1A1LMNAHTTSLC18A3
SCHEMBL8411972 0.71 DRD2 (0.43) ALDH1A1LMNADRD2HTR2AMAPK1
SCHEMBL8410575 0.71 HTR7 (0.38) LMNASMN1; SMN2HTTDRD2HTR2A
SCHEMBL6994274 0.71 DRD2 (0.46) HSD11B1ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL8411323 0.71 CYP2C19 (0.46) HSD11B1ALDH1A1LMNASMN1; SMN2HTT

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