SCHEMBL649820

SCHEMBL649820

CCCCn1c(-c2ccccc2)nc(-c2ccccc2OC)c1CN(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.62
F2R P25116 1/20 0.43
HTR2A P28223 8/20 0.42
HTR2B P41595 8/20 0.42
HTR2C P28335 7/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
HTR7 P34969 2/20 0.40
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
SLC6A2 P23975 1/20 0.40

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
SCHEMBL5135009 0.96 C5AR1 (0.60) C5AR1F2RHTR2AHTR2BHTR2C
SCHEMBL1913065 0.93 C5AR1 (0.60) C5AR1F2RHTR2AHTR2BHTR2C
SCHEMBL4764278 0.92 C5AR1 (0.58) C5AR1F2RHTR2AHTR2BHTR2C
SCHEMBL5136808 0.91 C5AR1 (0.53) C5AR1F2RHTR2AHTR2BHTR2C
SCHEMBL649947 0.90 C5AR1 (0.65) C5AR1HTR2AHTR2BHTR2CSMN1; SMN2
SCHEMBL4766754 0.90 C5AR1 (0.57) C5AR1F2RHTR2AHTR2BHTR2C
SCHEMBL4767016 0.89 C5AR1 (0.75) C5AR1F2RSMN1; SMN2LMNAL3MBTL1
SCHEMBL652149 0.88 C5AR1 (0.64) C5AR1F2RSMN1; SMN2LMNAL3MBTL1
SCHEMBL651406 0.88 C5AR1 (0.63) C5AR1SMN1; SMN2LMNAL3MBTL1TP53
SCHEMBL5136938 0.88 C5AR1 (0.66) C5AR1F2RHTR2AHTR2BHTR2C

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 6 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
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