SCHEMBL650376

SCHEMBL650376

CCCCn1c(-c2ccccc2C)nc(C#N)c1CN(Cc1cccc(OCC)c1)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.38
CTSL P07711 2/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 2/20 0.34
HTT P42858 1/20 0.34
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL1913080 0.96 C5AR1 (0.43) C5AR1CTSLALDH1A1MAPTHPGD
SCHEMBL650088 0.92 HTR2A (0.37) C5AR1CTSLALDH1A1MAPTHPGD
SCHEMBL648247 0.91 C5AR1 (0.47) C5AR1CTSLALDH1A1MAPTHPGD
SCHEMBL648590 0.90 C5AR1 (0.40) C5AR1ALDH1A1MAPK1SMN1; SMN2PTGDR2
SCHEMBL652511 0.89 C5AR1 (0.39) C5AR1CTSLALDH1A1MAPK1SMN1; SMN2
SCHEMBL648144 0.88 C5AR1 (0.49) C5AR1ALDH1A1MAPK1SMN1; SMN2PTGDR2
SCHEMBL651441 0.87 C5AR1 (0.40) C5AR1ALDH1A1MAPK1SMN1; SMN2PTGDR2
SCHEMBL649789 0.87 C5AR1 (0.53) C5AR1CTSLALDH1A1MAPTHPGD
SCHEMBL651692 0.85 C5AR1 (0.40) C5AR1ALDH1A1MAPTHPGDTSHR
SCHEMBL651244 0.84 C5AR1 (0.44) C5AR1CTSLALDH1A1MAPTHPGD

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