SCHEMBL648453

SCHEMBL648453

CCCCn1c(-c2ccccc2C)nc(F)c1CN(Cc1ccc(C(=O)OC)cc1)Cc1cccc(OCC)c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 13/20 0.38
LMNA P02545 1/20 0.37
TLR7 Q9NYK1 4/20 0.37
AGTR2 P50052 3/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL647754 0.92 SMN1; SMN2 (0.41) CNR1CNR2SMN1; SMN2
SCHEMBL653426 0.84 C5AR1 (0.38) AGTR1LMNATLR7SMN1; SMN2
SCHEMBL14572909 0.84 SMN1; SMN2 (0.43) CNR1CNR2SMN1; SMN2
SCHEMBL651244 0.83 C5AR1 (0.44) LMNASMN1; SMN2
SCHEMBL652511 0.83 C5AR1 (0.39) LMNASMN1; SMN2
SCHEMBL649715 0.83 MEN1 (0.33) SMN1; SMN2
SCHEMBL648054 0.81 NR1H2 (0.39) AGTR1TLR7SMN1; SMN2
SCHEMBL650281 0.80 AGTR1 (0.40) AGTR1TLR7AGTR2
SCHEMBL648072 0.78 AGTR1 (0.39) AGTR1TLR7
SCHEMBL651294 0.77 BCHE (0.40) TLR7

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