SCHEMBL9729263

SCHEMBL9729263

O=C1C=CC(c2cccc(Cl)c2)(c2cccc(Cl)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
MGLL Q99685 1/20 0.39
HSD11B1 P28845 2/20 0.37
SLC6A2 P23975 2/20 0.37
CCR2 P41597 1/20 0.36
DPP4 P27487 3/20 0.36
DPP9 Q86TI2 2/20 0.36
DPP8 Q6V1X1 1/20 0.36
KCNA3 P22001 1/20 0.35
CCR1 P32246 1/20 0.34
CYP1A2 P05177 1/20 0.34
HTR2C P28335 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2B P41595 1/20 0.34
HCAR3 P49019 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL9729483 0.81 HDAC4 (0.40) MGLLHSD11B1CCR2HTR2CHTR2A
SCHEMBL9729634 0.81 KDM1A (0.40) SLC6A4SLC6A3MGLLHSD11B1SLC6A2
SCHEMBL744007 0.79 MEN1 (0.44) HSD11B1MEN1KMT2A
SCHEMBL11465652 0.72 HTR2A (0.54) HTR2CHTR2AHTR2B
SCHEMBL14531844 0.70 PDE4B (0.48) SLC6A4MEN1KMT2A
SCHEMBL9729268 0.69 MEN1 (0.60) SLC6A4SLC6A3HSD11B1SLC6A2CCR2
SCHEMBL14260462 0.68 OPRM1 (0.49) KCNA3KMT2AALOX5
SCHEMBL11796632 0.67 KCNA3 (0.48) SLC6A4SLC6A3HSD11B1SLC6A2CCR2
SCHEMBL5876108 0.66 POLB (0.43) SLC6A4SLC6A3MGLLHSD11B1ALOX5
SCHEMBL27906398 0.65 SLC6A4 (0.50) SLC6A4SLC6A3HSD11B1SLC6A2CCR2

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
US-5112988-A ISOINDOLONE DERIVATIVES RHONE-POULENC SANTE (FR) 1992-05-12 US disclosed
US-5102667-A Antiallergens, antiinflammatory agents, nervous system disorders, immunology, psychological disorders RHONE-POULENC SANTE (FR) 1992-04-07 US disclosed