SCHEMBL7492011

SCHEMBL7492011

CCCCCCc1n[c]c2ncn(Cc3ccccc3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
ADORA2B P29275 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TLR7 Q9NYK1 2/20 0.39
POLB P06746 1/20 0.38
HIF1A Q16665 1/20 0.38
YTHDC1 Q96MU7 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CNOT7 Q9UIV1 3/20 0.37

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
SCHEMBL7488243 0.99 ADORA2B (0.40) CYP19A1HDAC1HDAC2ADORA2BSMN1; SMN2
SCHEMBL7492336 0.95 PDE4A (0.39) HDAC1HDAC2ADORA2BSMN1; SMN2RXFP1
SCHEMBL7489441 0.92 YTHDC1 (0.41) ADORA2BSMN1; SMN2RXFP1POLBHIF1A
SCHEMBL7486698 0.86 TSHR (0.41) ADORA2BPOLBALDH1A1CNOT7
SCHEMBL7488311 0.86 TSHR (0.41) ADORA2BPOLBALDH1A1CNOT7
SCHEMBL7488831 0.85 ADORA2A (0.44) ADORA2BSMN1; SMN2RXFP1YTHDC1
SCHEMBL7491743 0.85 TSHR (0.41) ADORA2BPOLBALDH1A1CNOT7
SCHEMBL7488843 0.85 CNOT7 (0.43) ADORA2BALDH1A1CNOT7
SCHEMBL7492592 0.84 TSHR (0.45) ADORA2BTLR7POLBALDH1A1CNOT7
SCHEMBL7492273 0.81 CYP19A1 (0.40) CYP19A1ADORA2BSMN1; SMN2RXFP1TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915093-B1 AMIDE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2002-11-27 EP disclosed
US-6166016-A Amide derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-12-26 US disclosed
EP-0915093-A1 AMIDE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1999-05-12 EP disclosed