SCHEMBL651281

SCHEMBL651281

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
AGTR1 P30556 4/20 0.34
AGTR2 P50052 1/20 0.34
PPARG P37231 2/20 0.34
NR1H4 Q96RI1 1/20 0.34
MME P08473 2/20 0.34
PTGER4 P35408 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 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
SCHEMBL650385 0.90 ADORA3 (0.36) ADORA3ADORA2BADORA1MEN1KMT2A
SCHEMBL648999 0.90 ADORA3 (0.37) ADORA3ADORA2BADORA1MEN1KMT2A
SCHEMBL650059 0.89 AGTR1 (0.37) ADORA3ADORA2BADORA1AGTR1AGTR2
SCHEMBL650087 0.87 ADORA3 (0.35) ADORA3ADORA2BADORA1MEN1KMT2A
SCHEMBL651079 0.85 AGTR1 (0.34) ADORA3ADORA2BADORA1AGTR1AGTR2
SCHEMBL651121 0.82 MEN1 (0.34) ADORA2BMEN1KMT2AAGTR1
SCHEMBL652331 0.82 DRD2 (0.35) ADORA2BAGTR1
SCHEMBL652578 0.82 AGTR1 (0.34) AGTR1MME
SCHEMBL648189 0.81 DRD2 (0.34) ADORA2BAGTR1
SCHEMBL652770 0.81 TLR8 (0.35) AGTR1ALDH1A1

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 1 patent. 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