SCHEMBL7844832

SCHEMBL7844832

COc1cccc(C2CCCC2)c1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.72
DRD2 P14416 2/20 0.60
GID4 Q8IVV7 1/20 0.53
ADRA1A P35348 4/20 0.50
HTR2A P28223 2/20 0.50
HTR2B P41595 2/20 0.50
HTR1A P08908 2/20 0.50
ADRA1D P25100 2/20 0.50
ADRA1B P35368 2/20 0.50
DDB1 Q16531 1/20 0.49
CRBN Q96SW2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HDAC4 P56524 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL2095198 0.98 HTR2C (0.70) HTR2CDRD2GID4ADRA1AHTR2A
Ammonia Solution, Strong SCHEMBL19664329 0.98 HTR2C (0.70) HTR2CDRD2GID4ADRA1AHTR2A
SCHEMBL1515075 0.96 HTR2C (0.72) HTR2CDRD2GID4ADRA1AHTR2A
SCHEMBL1515134 0.92 HTR2C (0.77) HTR2CDRD2GID4ADRA1AHTR2A
SCHEMBL30997824 0.92 HTR2C (0.77) HTR2CDRD2GID4ADRA1AHTR2A
Methyl Alcohol SCHEMBL8097139 0.89 HTR2C (0.72) HTR2CDRD2GID4ADRA1AHTR2A
SCHEMBL11258120 0.85 HTR2C (0.68) HTR2CDRD2ADRA1AHTR2A
SCHEMBL3679174 0.85 HTR2C (0.68) HTR2CDRD2GID4ADRA1AHTR2A
SCHEMBL28695004 0.85 HTR2C (0.68) HTR2CDRD2GID4ADRA1AHTR2A
SCHEMBL3316532 0.84 HTR2C (0.66) HTR2CDRD2GID4ADRA1AHTR2A

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-1064262-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS CYCLIC GMP MODULATORS IN MEDICAMENTS Aventis Pharma Deutschland GmbH (DE) 2001-01-03 EP disclosed
WO-1999042444-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS CYCLIC GMP MODULATORS IN MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-08-26 WO disclosed
US-4837301-A FROM ALKALI MTEAL SULFIDES AND AROMATIC DIHALOGEN COMPOUNDS; IMPROVED CORROSION RESISTANCE BAYER AKTIENGESELLSCHAFT (DE) 1989-06-06 US disclosed
EP-0275007-A2 Process for the preparation of highly molecular, optionally branched polyarylene sulfides BAYER AG (DE) 1988-07-20 EP disclosed