SCHEMBL78153

SCHEMBL78153

COCCCn1nc(C)c2ccc(C(C)C)cc21

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 14/20 0.55
SLC22A12 Q96S37 2/20 0.41
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
KMO O15229 1/20 0.40
GLS O94925 1/20 0.38
CASR P41180 1/20 0.38

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
SCHEMBL91359 0.83 REN (0.46) RENSLC22A12ADORA2AADORA2BKMO
SCHEMBL12523918 0.83 REN (0.54) RENSLC22A12
SCHEMBL1051150 0.81 REN (0.45) RENSLC22A12ADORA2AADORA2BKMO
SCHEMBL4257515 0.80 REN (0.52) RENSLC22A12KMO
SCHEMBL13131423 0.80 ADORA2A (0.44) RENSLC22A12ADORA2AADORA2BKMO
SCHEMBL21025792 0.80 ALDH1A1 (0.48) RENSLC22A12ADORA2AADORA2BKMO
SCHEMBL13132264 0.79 REN (0.46) RENSLC22A12ADORA2AADORA2BKMO
SCHEMBL26997295 0.79 ADORA2A (0.59) RENSLC22A12ADORA2AADORA2BKMO
SCHEMBL4249553 0.78 REN (0.45) RENSLC22A12ADORA2AADORA2BKMO
SCHEMBL13448565 0.78 REN (0.45) RENSLC22A12ADORA2AADORA2BKMO

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
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed