SCHEMBL9729634

SCHEMBL9729634

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.40
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
SLC6A2 P23975 1/20 0.37
HSD11B1 P28845 3/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
OPRM1 P35372 2/20 0.34
OPRL1 P41146 2/20 0.34
HCAR2 Q8TDS4 1/20 0.34
OPRD1 P41143 1/20 0.34

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
SCHEMBL14336919 0.81 SLC6A4 (0.38) KDM1ASLC6A4SLC6A3SLC6A2HSD11B1
SCHEMBL31067194 0.81 SLC6A4 (0.38) KDM1ASLC6A4SLC6A3SLC6A2HSD11B1
SCHEMBL9729263 0.81 SLC6A4 (0.40) MGLLSLC6A4SLC6A3SLC6A2HSD11B1
SCHEMBL5875966 0.81 CYP2C9 (0.37) HSD11B1OPRM1OPRL1OPRD1OPRK1
SCHEMBL9729483 0.81 HDAC4 (0.40) MGLLHSD11B1HTR2AHTR2COPRM1
SCHEMBL5876222 0.80 DAO (0.35) MGLLSLC6A4SLC6A3SLC6A2HSD11B1
SCHEMBL744007 0.79 MEN1 (0.44) HSD11B1OPRM1OPRL1OPRK1
SCHEMBL9729613 0.70 HDAC4 (0.38) MGLLHSD11B1PSEN1PSEN2APH1B
SCHEMBL14531844 0.70 PDE4B (0.48) SLC6A4
SCHEMBL14260464 0.70 PDE4B (0.48) SLC6A4

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