SCHEMBL9449652

SCHEMBL9449652

COc1ccc2c(c1)C(CCC(=O)Cl)c1ccccc1-2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
HTR2A P28223 2/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 1/20 0.40
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
MAPT P10636 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CYP1A1 P04798 1/20 0.38

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
SCHEMBL9449391 0.88 ATM (0.43) GAAHTR2AMTNR1AMTNR1BTSHR
SCHEMBL8993450 0.83 HTR2A (0.45) HTR2ATSHRMAPTKMT2A
SCHEMBL8643826 0.80 MTNR1A (0.55) MTNR1AMTNR1B
SCHEMBL9449380 0.79 HRH3 (0.55) GAAHTR2AMTNR1AMTNR1BTSHR
SCHEMBL8639790 0.78 MTNR1A (0.57) MTNR1AMTNR1BTSHRMAPT
Hydrochloric Acid SCHEMBL8638272 0.78 HTR2A (0.48) GAAHTR2AHSD17B1HSD17B2MAPT
SCHEMBL9449522 0.77 ALDH1A1 (0.43) GAAPPARGPPARA
SCHEMBL9622562 0.76 HTR2A (0.41) GAAHTR2AMTNR1AMTNR1BTSHR
SCHEMBL8641851 0.76 MTNR1A (0.45) GAAMTNR1AMTNR1BHSD17B1HSD17B2
SCHEMBL22320252 0.73 HTR2A (0.40) GAAHTR2AMTNR1AMTNR1BTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0531443-A4 METHODS FOR TREATING INFLAMMATION AND COMPOUNDS AND COMPOSITIONS SUITABLE FOR USE THEREIN 1993-04-21 EP disclosed
EP-0531443-A1 METHODS FOR TREATING INFLAMMATION AND COMPOUNDS AND COMPOSITIONS SUITABLE FOR USE THEREIN NOVA PHARMACEUTICAL CORPORATION (US) 1993-03-17 EP disclosed
US-5079260-A Side effect reduction; fluorene derivatives NOVA PHARMACEUTICAL CORPORATION (US) 1992-01-07 US disclosed
WO-1991018596-A1 METHODS FOR TREATING INFLAMMATION AND COMPOUNDS AND COMPOSITIONS SUITABLE FOR USE THEREIN WEITZBERG MOSHE (US) 1991-12-12 WO disclosed