SCHEMBL9567973

SCHEMBL9567973

O=C(CC(c1ccccc1)c1ccccc1)NCC1CCc2ccccc2C1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
PKM P14618 1/20 0.53
CYP2C19 P33261 1/20 0.53
BCHE P06276 3/20 0.50
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
NPY1R P25929 2/20 0.42
NPY5R Q15761 2/20 0.42
TACR1 P25103 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
TPH1 P17752 1/20 0.41
GRM7 Q14831 2/20 0.41

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
SCHEMBL9046845 0.83 HPGD (0.47) HPGDCYP3A4CYP2D6CYP2C9PKM
SCHEMBL9046851 0.80 PTGIR (0.48) HPGDCYP3A4CYP2D6CYP2C9PKM
SCHEMBL9568007 0.77 CNR1 (0.50) MTNR1AMTNR1B
SCHEMBL9568071 0.75 SLC6A4 (0.50) HPGDMTNR1AMTNR1B
SCHEMBL12422869 0.75 ADRA1D (0.58) MTNR1AMTNR1BNPY1RNPY5RADRA1D
SCHEMBL9568016 0.74 TACR1 (0.44) MTNR1AMTNR1BTACR1
SCHEMBL30444843 0.74 NAMPT (0.46) MTNR1AMTNR1BNPY1RNPY5RADRA1D
SCHEMBL2833768 0.74 EPHX1 (0.47) CYP2D6CYP2C19MTNR1AMTNR1BNPY1R
SCHEMBL9567978 0.73 ALDH1A1 (0.46) HPGDMTNR1AMTNR1B
SCHEMBL9688829 0.72 DRD2 (0.63) PKMMTNR1AMTNR1BNPY1RNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0542203-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP disclosed