SCHEMBL650064

SCHEMBL650064

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

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.62
GNRHR P30968 6/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
RAB9A P51151 1/20 0.39
CFTR P13569 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37

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
SCHEMBL649042 0.94 C5AR1 (0.55) C5AR1GNRHRSMN1; SMN2LMNAL3MBTL1
SCHEMBL649530 0.93 C5AR1 (0.59) C5AR1GNRHRSMN1; SMN2LMNAL3MBTL1
SCHEMBL652078 0.93 C5AR1 (0.54) C5AR1GNRHRSMN1; SMN2LMNAL3MBTL1
SCHEMBL648556 0.90 C5AR1 (0.66) C5AR1GNRHRSMN1; SMN2LMNAL3MBTL1
SCHEMBL4767016 0.90 C5AR1 (0.75) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL649790 0.90 C5AR1 (0.65) C5AR1GNRHRSMN1; SMN2LMNAL3MBTL1
SCHEMBL4768447 0.89 C5AR1 (0.64) C5AR1GNRHRSMN1; SMN2LMNAL3MBTL1
SCHEMBL5136938 0.89 C5AR1 (0.66) C5AR1GNRHRSMN1; SMN2LMNAL3MBTL1
SCHEMBL650779 0.89 C5AR1 (0.68) C5AR1GNRHRSMN1; SMN2LMNAL3MBTL1
SCHEMBL1912861 0.89 C5AR1 (0.68) C5AR1GNRHRSMN1; SMN2LMNAL3MBTL1

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