SCHEMBL648152

SCHEMBL648152

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1[C@@H](C)N(Cc1ccc(S(N)(=O)=O)cc1)CC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.39
PTGES O14684 1/20 0.36
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA4 P22748 3/20 0.35
CA5A P35218 3/20 0.35
CA7 P43166 3/20 0.35
CA9 Q16790 3/20 0.35
CA13 Q8N1Q1 3/20 0.35
CA14 Q9ULX7 3/20 0.35
CCR5 P51681 4/20 0.34
PTGS2 P35354 3/20 0.34
CHRNA7 P36544 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 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
SCHEMBL648055 0.84 C5AR1 (0.39) C5AR1ALDH1A1TSHRLMNAKDM4E
SCHEMBL650033 0.84 C5AR1 (0.39) C5AR1ALDH1A1TSHRLMNAKDM4E
SCHEMBL1912913 0.83 C5AR1 (0.40) C5AR1ALDH1A1TSHRLMNAMAPK1
SCHEMBL650465 0.83 C5AR1 (0.40) C5AR1ALDH1A1TSHRLMNAMAPK1
SCHEMBL648047 0.82 C5AR1 (0.61) C5AR1ALDH1A1LMNAKDM4EHPGD
SCHEMBL1912909 0.82 C5AR1 (0.61) C5AR1ALDH1A1LMNAKDM4EHPGD
SCHEMBL648369 0.81 C5AR1 (0.60) C5AR1PTGESCA12CA1CA2
SCHEMBL652445 0.81 C5AR1 (0.60) C5AR1PTGESCA12CA1CA2
SCHEMBL647842 0.81 C5AR1 (0.40) C5AR1
SCHEMBL649169 0.81 C5AR1 (0.40) 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 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