SCHEMBL31098211

SCHEMBL31098211

Fc1ccc2c(c1)N=C(N1CCNCC1)c1cc(C(F)(F)F)ccc1O2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.53
DRD2 P14416 3/20 0.53
HTR2A P28223 3/20 0.53
CHRM1 P11229 3/20 0.53
HTR1A P08908 2/20 0.53
ADRA2A P08913 2/20 0.53
HTR6 P50406 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HTR3A P46098 2/20 0.53
ADRB2 P07550 2/20 0.53
THRB P10828 2/20 0.53
HRH1 P35367 2/20 0.53
DRD4 P21917 2/20 0.53
DRD3 P35462 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53

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
SCHEMBL13285192 0.89 HRH4 (0.61) HTR2CDRD2HTR2ACHRM1HTR1A
SCHEMBL31098236 0.87 DRD2 (0.69) HTR2CDRD2HTR2ACHRM1HTR1A
SCHEMBL31098240 0.86 HRH4 (0.69) HTR2CDRD2HTR2ACHRM1HTR1A
SCHEMBL3413799 0.86 DRD2 (0.53) HTR2CDRD2HTR2ACHRM1HTR1A
SCHEMBL3405530 0.86 DRD2 (0.61) HTR2CDRD2HTR2ACHRM1HTR1A
SCHEMBL3411659 0.84 DRD2 (0.55) HTR2CDRD2HTR2ACHRM1HTR1A
SCHEMBL31098217 0.84 DRD2 (0.74) HTR2CDRD2HTR2ACHRM1HTR1A
SCHEMBL13285190 0.84 DRD2 (0.74) HTR2CDRD2HTR2ACHRM1HTR1A
SCHEMBL31098208 0.84 DRD2 (0.64) HTR2CDRD2HTR2ACHRM1HTR1A
SCHEMBL3411417 0.83 DRD2 (0.63) HTR2CDRD2HTR2ACHRM1HTR1A

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-4428132-A1 SLACK-ACTIVATING COMPOUNDS AND THEIR MEDICAL USE Johann-Wolfgang-Goethe-Universität Frankfurt am Main (DE) 2024-09-11 EP disclosed