SCHEMBL8366191

SCHEMBL8366191

CCn1c(=O)c(N2CCC(C(=O)c3ccc(F)cc3)CC2)cc2cc(OC)ccc21

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
DRD2 P14416 2/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTT P42858 1/20 0.50
CYP1A2 P05177 1/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
GLA P06280 1/20 0.46
MAPK1 P28482 1/20 0.46
KDM2B Q8NHM5 1/20 0.45
MGLL Q99685 1/20 0.44
PRKAA2 P54646 1/20 0.44
SLC18A3 Q16572 4/20 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
Hydrochloric Acid SCHEMBL8366292 0.99 HSD11B1 (0.50) HSD11B1ALDH1A1LMNASMN1; SMN2DRD2
Hydrochloric Acid SCHEMBL8916850 0.74 HSD11B1 (0.51) HSD11B1ALDH1A1LMNASMN1; SMN2DRD2
Hydrochloric Acid SCHEMBL8917649 0.71 HSD11B1 (0.48) HSD11B1ALDH1A1LMNASMN1; SMN2DRD2
SCHEMBL8948150 0.70 HTR2A (0.55) HSD11B1ALDH1A1LMNASMN1; SMN2DRD2
SCHEMBL6210540 0.70 POLB (0.68) HSD11B1ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL27639508 0.70 HSD11B1 (0.82) HSD11B1ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL8948051 0.69 HTR2A (0.55) HSD11B1ALDH1A1LMNASMN1; SMN2DRD2
SCHEMBL8712892 0.69 HSD11B1 (0.54) HSD11B1ALDH1A1LMNASMN1; SMN2DRD2
SCHEMBL8714652 0.69 HSD11B1 (0.52) HSD11B1ALDH1A1LMNASMN1; SMN2DRD2
SCHEMBL8715485 0.69 LMNA (0.54) HSD11B1ALDH1A1LMNASMN1; SMN2DRD2

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-5958924-A HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS, RESTENOSIS, ANTICOALUGANTS, RESPIRATORY SYSTEM DISORDERS SYNTHELABO (FR) 1999-09-28 US claimed