SCHEMBL647709

SCHEMBL647709

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.55
GNRHR P30968 4/20 0.38
PTPN1 P18031 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
CETP P11597 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 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
SCHEMBL648225 0.96 C5AR1 (0.59) C5AR1GNRHRHTR2AHTR2CHTR2B
SCHEMBL647658 0.95 C5AR1 (0.56) C5AR1GNRHRHTR2AHTR2CHTR2B
SCHEMBL649974 0.94 C5AR1 (0.55) C5AR1GNRHRHTR2AHTR2CHTR2B
SCHEMBL647664 0.94 C5AR1 (0.53) C5AR1GNRHRHTR2AHTR2CHTR2B
SCHEMBL1912826 0.94 C5AR1 (0.53) C5AR1GNRHRHTR2AHTR2CHTR2B
SCHEMBL652078 0.94 C5AR1 (0.54) C5AR1GNRHRHTR2AHTR2CHTR2B
SCHEMBL649741 0.94 C5AR1 (0.54) C5AR1GNRHRHTR2AHTR2CHTR2B
SCHEMBL648023 0.94 C5AR1 (0.54) C5AR1GNRHRHTR2AHTR2CHTR2B
SCHEMBL649067 0.93 C5AR1 (0.54) C5AR1GNRHRHTR2AHTR2CHTR2B
SCHEMBL650893 0.93 C5AR1 (0.52) C5AR1GNRHRHTR2AHTR2CHTR2B

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