SCHEMBL648873

SCHEMBL648873

CCCCn1c(-c2ccccc2)nc(-c2ccc(OC)cc2)c1CN(CCC(C)C)Cc1ccc(C(N)=O)c(O)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.37
C5AR1 P21730 1/20 0.37
PDK1 Q15118 1/20 0.36
HDAC1 Q13547 1/20 0.35
TSHR P16473 1/20 0.35
PARP1 P09874 2/20 0.34
CTSD P07339 1/20 0.34
ATM Q13315 1/20 0.34
NR1H3 Q13133 1/20 0.34
PPARG P37231 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
BCHE P06276 3/20 0.33
KMT2A Q03164 2/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
MEN1 O00255 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
SCHEMBL650787 0.94 C5AR1 (0.41) C5AR1PDK1HDAC1TSHRPPARG
SCHEMBL648586 0.94 C5AR1 (0.39) C5AR1PDK1TSHRPARP1PPARG
SCHEMBL651426 0.91 C5AR1 (0.38) C5AR1PDK1HDAC1TSHRPARP1
SCHEMBL650278 0.91 C5AR1 (0.40) C5AR1PDK1HDAC1TSHRPARP1
SCHEMBL648253 0.91 TSHR (0.41) C5AR1PDK1TSHRPARP1PPARG
SCHEMBL5218869 0.91 C5AR1 (0.37) MC4RC5AR1HDAC1PARP1CTSD
SCHEMBL1913052 0.90 C5AR1 (0.37) MC4RC5AR1HDAC1PARP1CTSD
SCHEMBL651825 0.89 C5AR1 (0.39) C5AR1HDAC1ATMNR1H3TDP1
SCHEMBL649230 0.89 C5AR1 (0.38) C5AR1PDK1TSHRPARP1PPARG
SCHEMBL648838 0.87 C5AR1 (0.43) C5AR1PDK1HDAC1TSHRPPARG

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