SCHEMBL7428704

SCHEMBL7428704

NCc1ccc2c(c1)C(C[C]=O)CO2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR2C P28335 1/20 0.44
MAOB P27338 4/20 0.35
LTA4H P09960 1/20 0.32
HCRTR2 O43614 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CD274 Q9NZQ7 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
SCHEMBL10444288 0.74 HTR1A (0.45) HTR1AHTR1DHTR2CMEN1MAPT
SCHEMBL507239 0.73 HTR2A (0.39) HTR1AHTR1DHTR2CLTA4HHCRTR2
SCHEMBL7752945 0.69 HTR1A (0.58) HTR1AHTR1DHTR2CMAOBHCRTR2
SCHEMBL14674073 0.65 LTB4R (0.42) MAOBTAAR1
SCHEMBL14673819 0.65 LTB4R (0.42) MAOBTAAR1
SCHEMBL7757639 0.65 HTR2C (0.53) HTR1AHTR1DHTR2CTAAR1
SCHEMBL14673382 0.65 LTB4R (0.42) MAOBTAAR1
SCHEMBL14673077 0.65 LTB4R (0.42) MAOBTAAR1
SCHEMBL14673750 0.65 LTB4R (0.42) MAOBTAAR1
SCHEMBL507442 0.64 LTA4H (0.38) LTA4HTAAR1CYP3A4CD274

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
EP-0375451-A2 Compounds having a renin-inhibiting activity BEECHAM GROUP PLC (GB) 1990-06-27 EP claimed
EP-0375451-A2 Compounds having a renin-inhibiting activity BEECHAM GROUP PLC (GB) 1990-06-27 EP disclosed