SCHEMBL650053

SCHEMBL650053

CCCCn1c(-c2ccccc2OC)nc(C(F)(F)F)c1CN(Cc1cccc(OCC)c1)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.38
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
TP53 P04637 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
F2R P25116 1/20 0.34
METAP2 P50579 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
NR1H4 Q96RI1 1/20 0.32

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
SCHEMBL649515 0.96 C5AR1 (0.43) C5AR1HTR2AHTR2CHTR2BTP53
SCHEMBL651441 0.92 C5AR1 (0.40) C5AR1MEN1KMT2ASMN1; SMN2F2R
SCHEMBL647843 0.91 CRHR1 (0.37) HTR2CHTR2BMEN1KMT2A
SCHEMBL5136781 0.90 HTR2C (0.38) C5AR1HTR2AHTR2CHTR2BTP53
SCHEMBL1913067 0.90 C5AR1 (0.47) C5AR1HTR2AHTR2CHTR2BTP53
SCHEMBL649048 0.89 C5AR1 (0.49) C5AR1SMN1; SMN2PTGDR2NR1H4
SCHEMBL649407 0.88 C5AR1 (0.49) C5AR1HTR2AHTR2CHTR2BTP53
SCHEMBL651675 0.88 HTR2A (0.42) C5AR1HTR2AHTR2CHTR2BTP53
SCHEMBL650088 0.88 HTR2A (0.37) C5AR1HTR2AHTR2CHTR2BTP53
SCHEMBL14572888 0.85 C5AR1 (0.53) C5AR1HTR2AHTR2CHTR2BTP53

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