SCHEMBL650087

SCHEMBL650087

CCCCn1c(-c2ccccc2C)nc(-c2ccc(C)cc2)c1CC(CC(C)(C)C)NCc1ccc(C(=O)O)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
AGTR1 P30556 4/20 0.33
AGTR2 P50052 1/20 0.33
PPARG P37231 2/20 0.33
NR1H4 Q96RI1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PIN1 Q13526 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
SCHEMBL650291 0.93 DRD2 (0.33) ADORA2BAGTR1MEN1KMT2A
SCHEMBL648999 0.92 ADORA3 (0.37) ADORA3ADORA2BADORA1AGTR1AGTR2
SCHEMBL650059 0.90 AGTR1 (0.37) ADORA3ADORA2BADORA1AGTR1AGTR2
SCHEMBL650385 0.89 ADORA3 (0.36) ADORA3ADORA2BADORA1AGTR1AGTR2
SCHEMBL651281 0.87 ADORA3 (0.37) ADORA3ADORA2BADORA1AGTR1AGTR2
SCHEMBL652331 0.85 DRD2 (0.35) ADORA2BAGTR1
SCHEMBL648189 0.84 DRD2 (0.34) ADORA2BAGTR1
SCHEMBL652770 0.83 TLR8 (0.35) AGTR1
SCHEMBL651079 0.83 AGTR1 (0.34) ADORA3ADORA2BADORA1AGTR1AGTR2
SCHEMBL652578 0.83 AGTR1 (0.34) AGTR1

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