SCHEMBL650544

SCHEMBL650544

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc2c(c1)OCO2)Cc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.61
UBE2M P61081 4/20 0.41
DCUN1D1 Q96GG9 4/20 0.41
KCNH2 Q12809 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GNRHR P30968 4/20 0.39
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
TRPV4 Q9HBA0 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
CASP1 P29466 1/20 0.35
KMT2A Q03164 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
SCHEMBL648816 0.95 C5AR1 (0.60) C5AR1UBE2MDCUN1D1KCNH2SMN1; SMN2
SCHEMBL649691 0.94 C5AR1 (0.61) C5AR1UBE2MDCUN1D1KCNH2SMN1; SMN2
SCHEMBL650673 0.93 C5AR1 (0.60) C5AR1UBE2MDCUN1D1KCNH2SMN1; SMN2
SCHEMBL648556 0.93 C5AR1 (0.66) C5AR1UBE2MDCUN1D1SMN1; SMN2LMNA
SCHEMBL650287 0.91 C5AR1 (0.64) C5AR1UBE2MDCUN1D1SMN1; SMN2LMNA
SCHEMBL652185 0.91 C5AR1 (0.63) C5AR1UBE2MDCUN1D1SMN1; SMN2LMNA
SCHEMBL651888 0.91 C5AR1 (0.65) C5AR1UBE2MDCUN1D1SMN1; SMN2LMNA
SCHEMBL651418 0.91 C5AR1 (0.62) C5AR1UBE2MDCUN1D1SMN1; SMN2LMNA
SCHEMBL4767016 0.89 C5AR1 (0.75) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL652241 0.89 C5AR1 (0.61) C5AR1UBE2MDCUN1D1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US 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