SCHEMBL648556

SCHEMBL648556

CCCCn1c(-c2ccccc2)nc(-c2ccc(C(F)(F)F)cc2)c1CN(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.66
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
UBE2M P61081 4/20 0.41
DCUN1D1 Q96GG9 4/20 0.41
TDP1 Q9NUW8 1/20 0.39
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 2/20 0.39
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GNRHR P30968 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TRPV4 Q9HBA0 1/20 0.37

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
SCHEMBL651888 0.94 C5AR1 (0.65) C5AR1SMN1; SMN2LMNAL3MBTL1UBE2M
SCHEMBL650287 0.94 C5AR1 (0.64) C5AR1SMN1; SMN2LMNAL3MBTL1UBE2M
SCHEMBL4767016 0.93 C5AR1 (0.75) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL650544 0.93 C5AR1 (0.61) C5AR1SMN1; SMN2LMNAL3MBTL1UBE2M
SCHEMBL649691 0.93 C5AR1 (0.61) C5AR1SMN1; SMN2LMNAL3MBTL1UBE2M
SCHEMBL651418 0.93 C5AR1 (0.62) C5AR1SMN1; SMN2LMNAL3MBTL1UBE2M
SCHEMBL650673 0.92 C5AR1 (0.60) C5AR1SMN1; SMN2LMNAL3MBTL1UBE2M
SCHEMBL648816 0.92 C5AR1 (0.60) C5AR1SMN1; SMN2LMNAL3MBTL1UBE2M
SCHEMBL652470 0.92 C5AR1 (0.56) C5AR1SMN1; SMN2LMNAL3MBTL1UBE2M
SCHEMBL1912861 0.92 C5AR1 (0.68) C5AR1SMN1; SMN2LMNAL3MBTL1UBE2M

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 6 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
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