SCHEMBL9651024

SCHEMBL9651024

O=C1CCc2c(OCC3CO3)ccc(F)c2N1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.44
SLC6A4 P31645 2/20 0.44
ALDH1A1 P00352 3/20 0.38
GLA P06280 1/20 0.38
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
MAPK14 Q16539 1/20 0.33
ADRB3 P13945 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
SCHEMBL9384498 0.86 ALDH1A1 (0.46) HTR2ASLC6A4ALDH1A1GLATDP1
SCHEMBL9654091 0.86 ALDH1A1 (0.39) HTR2ASLC6A4ALDH1A1GLATDP1
SCHEMBL9652974 0.85 ALDH1A1 (0.38) HTR2ASLC6A4ALDH1A1GLATDP1
SCHEMBL9385939 0.85 ALDH1A1 (0.41) HTR2ASLC6A4ALDH1A1GLATDP1
SCHEMBL9384482 0.84 ALDH1A1 (0.36) HTR2ASLC6A4ALDH1A1GLATDP1
SCHEMBL11380495 0.81 ALDH1A1 (0.36) HTR2ASLC6A4ALDH1A1GLATDP1
SCHEMBL11381634 0.81 ALDH1A1 (0.39) HTR2ASLC6A4ALDH1A1GLATDP1
SCHEMBL11378856 0.81 ALDH1A1 (0.35) HTR2ASLC6A4ALDH1A1GLATDP1
SCHEMBL17542774 0.80 SLC6A4 (0.38) HTR2ASLC6A4TDP1
SCHEMBL7091814 0.80 BRD4 (0.42) ALDH1A1GLATDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0467325-A2 Carbostyril derivatives SYNTEX (U.S.A.) INC. (US) 1992-01-22 EP disclosed
US-5082847-A Antiarrhythmia SYNTEX (U.S.A.) INC. (US) 1992-01-21 US disclosed