SCHEMBL652182

SCHEMBL652182

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1)Cc1cccc(C(F)(F)F)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.41
NR1H2 P55055 11/20 0.38
NR1H3 Q13133 11/20 0.38
CRHR1 P34998 3/20 0.38
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.36
NR1I2 O75469 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
RXRA P19793 1/20 0.36
VHL P40337 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
P2RX7 Q99572 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
SCHEMBL649736 0.92 NR1H2 (0.42) C5AR1NR1H2NR1H3CRHR1TSHR
SCHEMBL5134835 0.92 C5AR1 (0.44) C5AR1CRHR1TSHRALDH1A1
SCHEMBL650635 0.90 C5AR1 (0.41) C5AR1NR1H2NR1H3CRHR1TSHR
SCHEMBL650778 0.88 C5AR1 (0.59) C5AR1NR1H2NR1H3TSHRMEN1
SCHEMBL5135238 0.86 C5AR1 (0.45) C5AR1NR1H3CRHR1TSHRALDH1A1
SCHEMBL649925 0.86 CCR4 (0.44) C5AR1NR1H2NR1H3CRHR1P2RX7
SCHEMBL648158 0.85 C5AR1 (0.41) C5AR1NR1H3CRHR1TSHRMEN1
SCHEMBL651879 0.85 C5AR1 (0.43) C5AR1CRHR1TSHRALDH1A1
SCHEMBL1912954 0.85 C5AR1 (0.45) C5AR1CRHR1TSHRMAPT
SCHEMBL651094 0.84 TSHR (0.50) C5AR1NR1H3TSHRALDH1A1

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 9 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
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP 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
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed