SCHEMBL27840973

SCHEMBL27840973

O=COC(Cc1cnc[nH]1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.47
HRH3 Q9Y5N1 4/20 0.47
HRH4 Q9H3N8 2/20 0.47
KCNH2 Q12809 1/20 0.47
CYP19A1 P11511 5/20 0.45
TAAR1 Q96RJ0 2/20 0.44
CYP3A4 P08684 1/20 0.43
SLC7A5 Q01650 1/20 0.43

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
SCHEMBL28806027 0.80 ITGB2 (0.46) HIF1AHRH3HRH4CYP19A1TAAR1
SCHEMBL226163 0.76 CYP19A1 (0.58) HRH3HRH4KCNH2CYP19A1TAAR1
SCHEMBL27867611 0.75 KMT2A (0.39) CYP3A4
SCHEMBL8710389 0.73 EPHX1 (0.44) TAAR1
SCHEMBL27679351 0.72 GLS (0.32) CYP3A4
SCHEMBL27679469 0.72 LMNA (0.36)
SCHEMBL222295 0.72 HRH3 (0.56) HRH3HRH4KCNH2CYP19A1TAAR1
SCHEMBL28827075 0.71 GLS (0.32)
SCHEMBL28027221 0.70 ADRA2A (0.56)
SCHEMBL28290101 0.70 PARP1 (0.32)

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
CN-102186825-A Aryl gpr120 receptor agonists and uses thereof METABOLEX INC 2011-09-14 CN disclosed