SCHEMBL651121

SCHEMBL651121

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DRD2 P14416 1/20 0.34
TBXA2R P21731 1/20 0.34
AGTR1 P30556 2/20 0.33
TLR8 Q9NR97 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
IDO1 P14902 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 0.92 ADORA3 (0.36) MEN1KMT2AAGTR1ADORA2B
SCHEMBL650291 0.90 DRD2 (0.33) MEN1KMT2ADRD2TBXA2RAGTR1
SCHEMBL652331 0.89 DRD2 (0.35) DRD2TBXA2RAGTR1TLR8ADORA2A
SCHEMBL648189 0.89 DRD2 (0.34) DRD2TBXA2RAGTR1TLR8ADORA2A
SCHEMBL652770 0.88 TLR8 (0.35) DRD2TBXA2RAGTR1TLR8
SCHEMBL652578 0.87 AGTR1 (0.34) DRD2TBXA2RAGTR1TLR8
SCHEMBL653481 0.85 MERTK (0.34) DRD2TBXA2RAGTR1ADORA2B
SCHEMBL648905 0.82 RARA (0.35) MEN1KMT2AAGTR1
SCHEMBL652064 0.82 ITGB1 (0.31) MEN1KMT2AADORA2B
SCHEMBL651281 0.82 ADORA3 (0.37) MEN1KMT2AAGTR1ADORA2B

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