SCHEMBL1912985

SCHEMBL1912985

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1[C@H](C)N(Cc1ccc(OC(F)F)cc1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.60
SMN1; SMN2 Q16637 5/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTPN1 P18031 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 1/20 0.36
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 2/20 0.36
MAPT P10636 3/20 0.36
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
GNRHR P30968 2/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
HPGD P15428 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL650840 1.00 C5AR1 (0.60) C5AR1SMN1; SMN2LMNAL3MBTL1PTPN1
SCHEMBL4770465 0.91 C5AR1 (0.69) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL650902 0.91 C5AR1 (0.71) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL651831 0.91 C5AR1 (0.71) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL1912983 0.91 C5AR1 (0.59) C5AR1SMN1; SMN2LMNAL3MBTL1PTPN1
SCHEMBL649461 0.91 C5AR1 (0.59) C5AR1SMN1; SMN2LMNAL3MBTL1PTPN1
SCHEMBL1915157 0.91 C5AR1 (0.60) C5AR1SMN1; SMN2LMNAL3MBTL1PPARG
SCHEMBL651497 0.87 C5AR1 (0.68) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL650905 0.87 C5AR1 (0.68) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL1912946 0.86 C5AR1 (0.62) C5AR1SMN1; SMN2LMNAL3MBTL1PTPN1

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 4 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-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