SCHEMBL651973

SCHEMBL651973

CCCC[C@H](c1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC)N(Cc1cccc(C(F)(F)F)c1)CC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.39
UBE2M P61081 7/20 0.36
DCUN1D1 Q96GG9 7/20 0.36
ADORA1 P30542 1/20 0.36
TRPV4 Q9HBA0 5/20 0.35
CXCR3 P49682 2/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
PKM P14618 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
SCHEMBL647784 1.00 C5AR1 (0.39) C5AR1UBE2MDCUN1D1ADORA1TRPV4
SCHEMBL649169 0.91 C5AR1 (0.40) C5AR1UBE2MDCUN1D1ADORA1TRPV4
SCHEMBL647842 0.91 C5AR1 (0.40) C5AR1UBE2MDCUN1D1ADORA1TRPV4
SCHEMBL1912906 0.85 C5AR1 (0.39) C5AR1ADORA1CXCR3
SCHEMBL1912904 0.85 C5AR1 (0.39) C5AR1ADORA1CXCR3
SCHEMBL648933 0.84 C5AR1 (0.59) C5AR1UBE2MDCUN1D1CXCR3PKM
SCHEMBL1912894 0.84 C5AR1 (0.59) C5AR1UBE2MDCUN1D1CXCR3PKM
SCHEMBL649705 0.83 C5AR1 (0.38) C5AR1
SCHEMBL652022 0.83 C5AR1 (0.59) C5AR1UBE2MDCUN1D1TRPV4
SCHEMBL648119 0.83 C5AR1 (0.59) C5AR1UBE2MDCUN1D1TRPV4

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