SCHEMBL5135016

SCHEMBL5135016

CCCCN(Cc1cc(F)ccc1F)Cc1c(-c2ccc(Cl)cc2)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.41
CRHR1 P34998 2/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.37
P2RX7 Q99572 2/20 0.36
POLB P06746 1/20 0.36
HDAC1 Q13547 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
SLC2A1 P11166 1/20 0.35
TSPO P30536 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
SCHEMBL5134844 0.95 C5AR1 (0.44) C5AR1CRHR1TSHRP2RX7HDAC1
SCHEMBL5074315 0.95 C5AR1 (0.40) C5AR1CRHR1MAPTTSHRP2RX7
SCHEMBL5135659 0.93 P2RX7 (0.41) C5AR1CRHR1TSHRP2RX7POLB
SCHEMBL5169689 0.93 C5AR1 (0.40) C5AR1CRHR1MAPTTSHRKDM4E
SCHEMBL5137131 0.93 C5AR1 (0.41) C5AR1CRHR1TSHRP2RX7HDAC1
SCHEMBL5137586 0.92 C5AR1 (0.40) C5AR1CRHR1TSHRP2RX7HDAC1
SCHEMBL5074325 0.89 C5AR1 (0.39) C5AR1CRHR1MAPTTSHRP2RX7
SCHEMBL649835 0.89 P2RX7 (0.43) C5AR1CRHR1TSHRP2RX7HDAC1
SCHEMBL5135670 0.89 C5AR1 (0.43) C5AR1CRHR1TSHRP2RX7HDAC1
SCHEMBL5135552 0.88 LMNA (0.37) C5AR1MAPTPOLBTSPO

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-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed