SCHEMBL649778

SCHEMBL649778

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(S(N)(=O)=O)cc1)Cc1ccc(O)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.40
RORC P51449 2/20 0.37
CA12 O43570 8/20 0.35
CA1 P00915 8/20 0.35
CA2 P00918 8/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
CA4 P22748 2/20 0.34
LDHA P00338 1/20 0.34
USP2 O75604 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDK1 Q15118 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
SCHEMBL649553 0.91 CRHR1 (0.37) C5AR1RORCCA12CA1CA2
SCHEMBL5136767 0.90 C5AR1 (0.41) C5AR1CA12CA1CA2CA4
SCHEMBL4764487 0.90 C5AR1 (0.43) C5AR1RORCMEN1KMT2ATSHR
SCHEMBL5138072 0.89 C5AR1 (0.43) C5AR1RORCMEN1KMT2ATSHR
SCHEMBL5136216 0.88 C5AR1 (0.41) C5AR1
SCHEMBL650071 0.87 C5AR1 (0.37) C5AR1RORCCA12CA1CA2
SCHEMBL5136126 0.86 C5AR1 (0.40) C5AR1TSHRPDK1
SCHEMBL650800 0.86 C5AR1 (0.45) C5AR1CA12CA1CA2MEN1
SCHEMBL649150 0.86 C5AR1 (0.41) C5AR1CA12CA1CA2MEN1
SCHEMBL5137492 0.84 C5AR1 (0.42) C5AR1MEN1KMT2ATSHRSMN1; 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