SCHEMBL649440

SCHEMBL649440

COCCn1c(-c2ccccc2)nc(-c2ccc(OC)cc2)c1CN(Cc1ccc2c(c1)OCCO2)CC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.43
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
KDM4E B2RXH2 4/20 0.42
GNRHR P30968 7/20 0.39
HPGD P15428 4/20 0.37
MAPT P10636 3/20 0.37
GAA P10253 3/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36

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
SCHEMBL651475 0.90 C5AR1 (0.44) C5AR1ALDH1A1SMN1; SMN2KDM4EGNRHR
SCHEMBL650366 0.89 C5AR1 (0.43) C5AR1ALDH1A1SMN1; SMN2KDM4EGNRHR
SCHEMBL5135332 0.83 C5AR1 (0.59) C5AR1ALDH1A1SMN1; SMN2KDM4EGNRHR
SCHEMBL5135904 0.83 C5AR1 (0.56) C5AR1ALDH1A1SMN1; SMN2KDM4EGNRHR
SCHEMBL651901 0.81 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KDM4EHPGDMEN1
SCHEMBL651263 0.80 C5AR1 (0.59) C5AR1ALDH1A1SMN1; SMN2KDM4EGNRHR
SCHEMBL648955 0.79 C5AR1 (0.58) C5AR1ALDH1A1SMN1; SMN2KDM4EGNRHR
SCHEMBL650896 0.79 C5AR1 (0.52) C5AR1ALDH1A1SMN1; SMN2KDM4EGNRHR
SCHEMBL649430 0.79 C5AR1 (0.58) C5AR1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL4768447 0.79 C5AR1 (0.64) C5AR1ALDH1A1SMN1; SMN2KDM4EGNRHR

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