SCHEMBL649705

SCHEMBL649705

CCCC[C@@H](c1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC)N(Cc1ccc(OC(F)F)cc1)CC1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.38
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
TSHR P16473 3/20 0.31
MDM2 Q00987 2/20 0.31
DAGLA Q9Y4D2 1/20 0.31
ALDH1A1 P00352 3/20 0.30
KDM4E B2RXH2 2/20 0.30
CYP3A4 P08684 2/20 0.30
HPGD P15428 2/20 0.30
HSD17B10 Q99714 2/20 0.30
PDE6D O43924 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ADRA1A P35348 1/20 0.30
KCNH2 Q12809 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
PDE1C Q14123 1/20 0.30

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
SCHEMBL650033 0.91 C5AR1 (0.39) C5AR1DRD2DRD3TSHRMDM2
SCHEMBL648055 0.91 C5AR1 (0.39) C5AR1DRD2DRD3TSHRMDM2
SCHEMBL1912904 0.84 C5AR1 (0.39) C5AR1TSHRALDH1A1KDM4ECYP3A4
SCHEMBL1912906 0.84 C5AR1 (0.39) C5AR1TSHRALDH1A1KDM4ECYP3A4
SCHEMBL651973 0.83 C5AR1 (0.39) C5AR1
SCHEMBL647784 0.83 C5AR1 (0.39) C5AR1
SCHEMBL650100 0.83 C5AR1 (0.40) C5AR1DRD2DRD3TSHRMDM2
SCHEMBL648933 0.83 C5AR1 (0.59) C5AR1ALDH1A1SMN1; SMN2
SCHEMBL1912894 0.83 C5AR1 (0.59) C5AR1ALDH1A1SMN1; SMN2
SCHEMBL649461 0.82 C5AR1 (0.59) C5AR1ALDH1A1KDM4ECYP3A4HPGD

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