SCHEMBL647842

SCHEMBL647842

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1[C@@H](C)N(Cc1cccc(C(F)(F)F)c1)CC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.40
UBE2M P61081 8/20 0.37
DCUN1D1 Q96GG9 8/20 0.37
ADORA1 P30542 1/20 0.37
KMT2A Q03164 2/20 0.36
IDE P14735 1/20 0.36
PAX8 Q06710 1/20 0.36
TRPV4 Q9HBA0 3/20 0.35
ADORA2B P29275 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 1/20 0.34
MEN1 O00255 1/20 0.34
MDM2 Q00987 1/20 0.34

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
SCHEMBL649169 1.00 C5AR1 (0.40) C5AR1UBE2MDCUN1D1ADORA1KMT2A
SCHEMBL647784 0.91 C5AR1 (0.39) C5AR1UBE2MDCUN1D1ADORA1TRPV4
SCHEMBL651973 0.91 C5AR1 (0.39) C5AR1UBE2MDCUN1D1ADORA1TRPV4
SCHEMBL1912913 0.85 C5AR1 (0.40) C5AR1ADORA1ADORA2B
SCHEMBL650465 0.85 C5AR1 (0.40) C5AR1ADORA1ADORA2B
SCHEMBL1912909 0.84 C5AR1 (0.61) C5AR1UBE2MDCUN1D1
SCHEMBL648047 0.84 C5AR1 (0.61) C5AR1UBE2MDCUN1D1
SCHEMBL650435 0.83 C5AR1 (0.42) C5AR1UBE2MDCUN1D1ADORA1KMT2A
SCHEMBL650033 0.83 C5AR1 (0.39) C5AR1ADORA1ADORA2BMDM2
SCHEMBL648055 0.83 C5AR1 (0.39) C5AR1ADORA1ADORA2BMDM2

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