SCHEMBL649067

SCHEMBL649067

CCCCn1c(-c2ccccc2)nc(-c2ccc(OCC)cc2)c1CN(Cc1cccc(OC(F)(F)C(F)F)c1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.54
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
GNRHR P30968 4/20 0.38
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CETP P11597 2/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL651076 0.95 C5AR1 (0.52) C5AR1PPARGPPARAGNRHRHTR2A
SCHEMBL648225 0.95 C5AR1 (0.59) C5AR1PPARGPPARAGNRHRHTR2A
SCHEMBL648023 0.94 C5AR1 (0.54) C5AR1GNRHRHTR2AHTR2CHTR2B
SCHEMBL652078 0.94 C5AR1 (0.54) C5AR1PPARGPPARAGNRHRHTR2A
SCHEMBL647658 0.94 C5AR1 (0.56) C5AR1PPARGPPARAGNRHRHTR2A
SCHEMBL649974 0.93 C5AR1 (0.55) C5AR1PPARGPPARAGNRHRHTR2A
SCHEMBL647709 0.93 C5AR1 (0.55) C5AR1PPARGPPARAGNRHRHTR2A
SCHEMBL649741 0.93 C5AR1 (0.54) C5AR1PPARGPPARAGNRHRHTR2A
SCHEMBL649030 0.92 C5AR1 (0.60) C5AR1PPARGPPARAGNRHRHTR2A
SCHEMBL649042 0.92 C5AR1 (0.55) C5AR1PPARGPPARAGNRHRSMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116424-A1 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION 2004-06-17 US claimed
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