SCHEMBL650914

SCHEMBL650914

CCCCn1c(CN(Cc2cccc(OC(F)(F)C(F)F)c2)Cc2ccc3c(c2)OCO3)cnc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.49
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CETP P11597 2/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
TSHR P16473 1/20 0.36
F2R P25116 1/20 0.36
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
CTSL P07711 1/20 0.35

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
SCHEMBL651265 0.89 C5AR1 (0.53) C5AR1HTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL5138029 0.89 C5AR1 (0.53) C5AR1HTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL651086 0.88 C5AR1 (0.52) C5AR1HTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL5134857 0.87 C5AR1 (0.60) C5AR1HTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL647999 0.87 C5AR1 (0.62) C5AR1HTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL648225 0.86 C5AR1 (0.59) C5AR1HTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL5134878 0.86 C5AR1 (0.55) C5AR1HTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL5134640 0.86 C5AR1 (0.56) C5AR1HTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL14415544 0.85 C5AR1 (0.51) C5AR1HTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL648536 0.85 C5AR1 (0.54) C5AR1HTR2AHTR2CHTR2BSMN1; SMN2

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