SCHEMBL652216

SCHEMBL652216

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC)cc1)Cc1cccc(OC(F)(F)C(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
CETP P11597 14/20 0.40
CALM1 P0DP23 1/20 0.36
CAMKK2 Q96RR4 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
DHFR P00374 1/20 0.35
CRHR1 P34998 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 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
SCHEMBL650074 0.95 C5AR1 (0.43) C5AR1CETPCRHR1
SCHEMBL651407 0.94 C5AR1 (0.42) C5AR1CETPCRHR1
SCHEMBL5135486 0.93 C5AR1 (0.42) C5AR1CETPCALM1CAMKK2TLR7
SCHEMBL648023 0.92 C5AR1 (0.54) C5AR1
SCHEMBL649156 0.91 C5AR1 (0.42) C5AR1CALM1CAMKK2TLR7PPARG
SCHEMBL648926 0.91 C5AR1 (0.41) C5AR1CETP
SCHEMBL648123 0.90 C5AR1 (0.42) C5AR1CETPCRHR1PPARGPPARA
SCHEMBL648419 0.90 C5AR1 (0.46) C5AR1CALM1CAMKK2TLR7
SCHEMBL653132 0.89 C5AR1 (0.40) C5AR1CETPCRHR1
SCHEMBL648225 0.88 C5AR1 (0.59) C5AR1CETPPPARGPPARA

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