SCHEMBL648290

SCHEMBL648290

CCCCN(Cc1ccc2c(c1)CCC(=O)N2)Cc1c(C(F)(F)F)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.41
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
C5AR1 P21730 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR7 P34969 1/20 0.35
DRD3 P35462 1/20 0.35
ULK1 O75385 2/20 0.35
KIF11 P52732 1/20 0.35
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 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
SCHEMBL650841 0.91 C5AR1 (0.44) LMNATSHRC5AR1MAOAMAOB
SCHEMBL650310 0.89 C5AR1 (0.52) LMNATSHRC5AR1GAAALDH1A1
SCHEMBL648380 0.89 CRHR1 (0.37) CRHR1LMNATSHRC5AR1HTR1A
SCHEMBL651748 0.85 C5AR1 (0.44) LMNATSHRC5AR1MAOAMAOB
SCHEMBL14572836 0.80 CRHR1 (0.49) CRHR1TSHRC5AR1
SCHEMBL1912836 0.80 C5AR1 (0.39) LMNATSHRC5AR1MAOAMAOB
SCHEMBL649695 0.80 C5AR1 (0.59) LMNATSHRC5AR1HTR1ADRD2
SCHEMBL648899 0.80 C5AR1 (0.40) LMNATSHRC5AR1MAOAMAOB
SCHEMBL652209 0.80 MEN1 (0.37) CRHR1LMNATSHRMAOAMAOB
SCHEMBL14607057 0.79 CRHR1 (0.49) CRHR1TSHRC5AR1

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 5 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
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed