SCHEMBL651691

SCHEMBL651691

CCCCN(Cc1cccc(OC(F)F)c1)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
BCHE P06276 5/20 0.39
CRHR1 P34998 2/20 0.38
MEP1B Q16820 1/20 0.38
TSHR P16473 2/20 0.37
HSD17B10 Q99714 1/20 0.37
ATP4A P20648 2/20 0.36
ATP4B P51164 2/20 0.36
CALM1 P0DP23 1/20 0.36
CAMKK2 Q96RR4 1/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
HDAC1 Q13547 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 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
SCHEMBL648222 0.95 C5AR1 (0.43) C5AR1BCHECRHR1MEP1BTSHR
SCHEMBL648790 0.92 C5AR1 (0.43) C5AR1BCHEMEP1BTSHRHSD17B10
SCHEMBL1912882 0.91 BCHE (0.39) C5AR1BCHECRHR1MEP1BTSHR
SCHEMBL648123 0.91 C5AR1 (0.42) C5AR1BCHECRHR1PPARGPPARA
SCHEMBL650283 0.90 C5AR1 (0.42) C5AR1BCHECRHR1TSHRHSD17B10
SCHEMBL649156 0.90 C5AR1 (0.42) C5AR1MEP1BTSHRCALM1CAMKK2
SCHEMBL653237 0.90 C5AR1 (0.40) C5AR1MEP1BPPARGPPARAHTT
SCHEMBL5135861 0.90 CRHR1 (0.44) C5AR1BCHECRHR1TSHRHSD17B10
SCHEMBL5135705 0.89 CALM1 (0.45) C5AR1BCHECRHR1TSHRATP4A
SCHEMBL5138089 0.89 TSHR (0.46) C5AR1BCHECRHR1TSHRHSD17B10

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 5 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-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