SCHEMBL650496

SCHEMBL650496

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1cccc(OC(F)(F)C(F)F)c1)CC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.40
CETP P11597 12/20 0.40
CRHR1 P34998 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CCR4 P51679 2/20 0.34
SLC6A9 P48067 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL5135374 0.93 C5AR1 (0.40) C5AR1CETPCRHR1MEN1KMT2A
SCHEMBL648763 0.92 C5AR1 (0.40) C5AR1CRHR1MEN1KMT2ACCR4
SCHEMBL650074 0.89 C5AR1 (0.43) C5AR1CETPCRHR1
SCHEMBL5137356 0.89 MEN1 (0.45) C5AR1MEN1KMT2A
SCHEMBL648532 0.88 C5AR1 (0.41) C5AR1MEN1KMT2A
SCHEMBL648123 0.88 C5AR1 (0.42) C5AR1CETPCRHR1
SCHEMBL5137905 0.87 IGF1R (0.43) C5AR1MEN1KMT2A
SCHEMBL650435 0.87 C5AR1 (0.42) C5AR1CRHR1MEN1KMT2ACCR4
SCHEMBL648926 0.86 C5AR1 (0.41) C5AR1CETPMEN1KMT2A
SCHEMBL5137864 0.85 C5AR1 (0.44) C5AR1

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