SCHEMBL651441

SCHEMBL651441

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.40
CRHR1 P34998 3/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
F2R P25116 1/20 0.32

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
SCHEMBL650053 0.92 C5AR1 (0.38) C5AR1PTGDR2NR1H4MEN1KMT2A
SCHEMBL649048 0.91 C5AR1 (0.49) C5AR1CRHR1PTGDR2NR1H4ALDH1A1
SCHEMBL652511 0.90 C5AR1 (0.39) C5AR1PTGDR2ALDH1A1MAPK1OPRM1
SCHEMBL648590 0.90 C5AR1 (0.40) C5AR1PTGDR2ALDH1A1MAPK1OPRM1
SCHEMBL648144 0.89 C5AR1 (0.49) C5AR1PTGDR2ALDH1A1MAPK1OPRM1
SCHEMBL649515 0.88 C5AR1 (0.43) C5AR1MEN1KMT2ASMN1; SMN2F2R
SCHEMBL650376 0.87 C5AR1 (0.38) C5AR1PTGDR2ALDH1A1MAPK1OPRM1
SCHEMBL649823 0.87 C5AR1 (0.55) C5AR1ALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL651244 0.86 C5AR1 (0.44) C5AR1ALDH1A1MEN1KMT2ALMNA
SCHEMBL1913080 0.83 C5AR1 (0.43) C5AR1ALDH1A1MAPK1MEN1KMT2A

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