SCHEMBL4820757

SCHEMBL4820757

CCc1cccc(CC)c1-c1cc(OCCNC(C)(C)C)c(CN2CCc3ccccc3C2)c(C)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 2/20 0.42
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.38
CD44 P16070 1/20 0.38
DHFR P00374 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ABCB1 P08183 3/20 0.37
KDM4E B2RXH2 1/20 0.37
ATM Q13315 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL1327351 0.92 C5AR1 (0.43) C5AR1LMNAPOLBCD44DHFR
SCHEMBL1327354 0.86 C5AR1 (0.44) C5AR1LMNAPOLBCD44DHFR
SCHEMBL1329410 0.85 C5AR1 (0.54) C5AR1LMNAPOLBMEN1KMT2A
SCHEMBL1327978 0.84 PRMT5 (0.43) C5AR1POLBMEN1KMT2AABCB1
SCHEMBL1327356 0.82 C5AR1 (0.46) C5AR1LMNAPOLBCD44MEN1
SCHEMBL1329650 0.81 LMNA (0.46) C5AR1LMNAPOLBCD44DHFR
SCHEMBL1327907 0.80 C5AR1 (0.48) C5AR1LMNAPOLBABCB1KDM4E
SCHEMBL2140546 0.78 PRMT5 (0.43) C5AR1LMNAPOLBCD44KDM4E
SCHEMBL1329134 0.78 LMNA (0.44) C5AR1LMNAPOLBCD44DHFR
SCHEMBL4417669 0.78 C5AR1 (0.42) C5AR1LMNAPOLBCD44DHFR

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-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 US disclosed