SCHEMBL653426

SCHEMBL653426

CCCCn1c(-c2ccccc2C)nc(F)c1CN(Cc1ccc(C(=O)OC)cc1)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PTGDR2 Q9Y5Y4 3/20 0.36
PTGER3 P43115 1/20 0.36
ALDH1A1 P00352 5/20 0.36
TSHR P16473 4/20 0.36
MAPK1 P28482 2/20 0.36
MAPT P10636 2/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AGTR1 P30556 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
TLR7 Q9NYK1 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
SCHEMBL652538 0.92 C5AR1 (0.39) C5AR1MEN1KMT2APTGER3ALDH1A1
SCHEMBL648947 0.92 C5AR1 (0.41) C5AR1MEN1KMT2APTGDR2PTGER3
SCHEMBL1913113 0.90 C5AR1 (0.48) C5AR1MEN1KMT2APTGDR2PTGER3
SCHEMBL649995 0.89 C5AR1 (0.37) C5AR1MEN1KMT2APTGER3ALDH1A1
SCHEMBL1913112 0.89 C5AR1 (0.43) C5AR1MEN1KMT2APTGDR2PTGER3
SCHEMBL14572910 0.86 C5AR1 (0.41) C5AR1MEN1KMT2APTGDR2ALDH1A1
SCHEMBL648453 0.84 AGTR1 (0.38) LMNASMN1; SMN2AGTR1TLR7
SCHEMBL652511 0.84 C5AR1 (0.39) C5AR1MEN1KMT2APTGDR2ALDH1A1
SCHEMBL1913100 0.83 C5AR1 (0.42) C5AR1MEN1KMT2APTGDR2PTGER3
SCHEMBL651293 0.83 C5AR1 (0.49) C5AR1MEN1KMT2APTGDR2ALDH1A1

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