SCHEMBL18801723

SCHEMBL18801723

COCC1CCCN1Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 1/20 0.63
EGLN1 Q9GZT9 1/20 0.63
HDAC8 Q9BY41 2/20 0.62
HDAC6 Q9UBN7 2/20 0.62
HDAC1 Q13547 1/20 0.62
FAAH O00519 4/20 0.55
SPHK2 Q9NRA0 2/20 0.51
SPHK1 Q9NYA1 2/20 0.51
DRD2 P14416 2/20 0.50
HTR2A P28223 2/20 0.50
HTR2C P28335 2/20 0.50

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
SCHEMBL791665 1.00 VEGFA (0.63) VEGFAEGLN1HDAC8HDAC6HDAC1
SCHEMBL22587046 0.90 VEGFA (0.53) VEGFAEGLN1HDAC8HDAC6HDAC1
SCHEMBL13479179 0.86 HDAC8 (0.64) VEGFAEGLN1HDAC8HDAC6HDAC1
SCHEMBL12642706 0.85 HDAC8 (0.67) VEGFAEGLN1HDAC8HDAC6HDAC1
SCHEMBL1241170 0.85 HDAC8 (0.67) VEGFAEGLN1HDAC8HDAC6HDAC1
SCHEMBL3565573 0.85 HDAC8 (0.63) VEGFAEGLN1HDAC8HDAC6HDAC1
SCHEMBL3569375 0.85 HDAC8 (0.63) VEGFAEGLN1HDAC8HDAC6HDAC1
SCHEMBL18700880 0.85 FAAH (0.53) VEGFAEGLN1HDAC8HDAC6HDAC1
SCHEMBL18700879 0.85 FAAH (0.53) VEGFAEGLN1HDAC8HDAC6HDAC1
SCHEMBL1241175 0.85 HDAC8 (0.67) VEGFAEGLN1HDAC8HDAC6HDAC1

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-2585064-B1 C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2017-05-03 EP disclosed