SCHEMBL746904

SCHEMBL746904

OC1(F)C=CC(c2ccccc2)C=C1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
CHRNA7 P36544 1/20 0.33
TRPA1 O75762 1/20 0.31
CA2 P00918 1/20 0.31
MAOB P27338 4/20 0.30
MAOA P21397 3/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL222998 0.82 CHRNA7 (0.35) HTR2AHTR2CHTR2BCHRNA7TRPA1
SCHEMBL1577842 0.82 HTR2A (0.41) HTR2AHTR2CHTR2BMAOBMAOA
Hydrogen Sulfide SCHEMBL8857190 0.80 CHRNA7 (0.34) HTR2AHTR2CHTR2BCHRNA7TRPA1
SCHEMBL4794111 0.78 KDM1A (0.38) HTR2AHTR2CHTR2BCHRNA7MAOB
SCHEMBL909812 0.78 CHRNA7 (0.33) HTR2AHTR2CHTR2BCHRNA7TRPA1
SCHEMBL6496498 0.78 HTR2A (0.42) HTR2AHTR2CHTR2BMAOBMAOA
SCHEMBL909125 0.78 CHRNA7 (0.33) HTR2AHTR2CHTR2BCHRNA7TRPA1
SCHEMBL5390121 0.78 CHRNA7 (0.33) HTR2AHTR2CHTR2BCHRNA7TRPA1
SCHEMBL7422826 0.78 HTR2A (0.38) HTR2AHTR2CHTR2BMAOBMAOA
SCHEMBL7199456 0.78 CHRNA7 (0.41) CHRNA7TRPA1CA2MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1034939-A None JP disclosed
CN-109503686-B Novel nucleoside phosphoramidate compounds and uses thereof 南京圣和药业股份有限公司 2022-03-11 CN disclosed
CN-108546277-B Novel nucleoside phosphoramidate compounds and uses thereof 南京圣和药业股份有限公司 2021-05-07 CN disclosed
CN-108314697-B Novel nucleoside phosphoramidate compounds and uses thereof 南京圣和药业股份有限公司 2021-05-07 CN disclosed
EP-2430012-A1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-21 EP disclosed
WO-2011089550-A1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI AVENTIS (FR) 2011-07-28 WO disclosed
WO-2010130945-A1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-11-18 WO disclosed
JP-S6434939-A UNSATURATED ALKOXYFLUOROBIPHENYL CHISSO CORP 1989-02-06 JP disclosed