SCHEMBL650306

SCHEMBL650306

CCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CN(Cc1ccc(C(=O)OC)cc1)CC(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.38
DRD2 P14416 1/20 0.37
TBXA2R P21731 1/20 0.37
AGTR1 P30556 3/20 0.37
MC4R P32245 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
TLR7 Q9NYK1 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
C5AR1 P21730 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
SCHEMBL652369 0.94 CRHR1 (0.40) CRHR1DRD2TBXA2RAGTR1MC4R
SCHEMBL1913086 0.93 AGTR1 (0.41) CRHR1DRD2TBXA2RAGTR1ADORA2A
SCHEMBL650027 0.92 CRHR1 (0.40) CRHR1AGTR1TSHRLPAR1LPAR5
SCHEMBL648135 0.91 CRHR1 (0.44) CRHR1DRD2TBXA2RAGTR1ADORA2A
SCHEMBL648691 0.90 RORC (0.41) CRHR1TSHRTLR7MAPTC5AR1
SCHEMBL651310 0.88 NR1H4 (0.39) CRHR1DRD2TBXA2RAGTR1ADORA2A
SCHEMBL652145 0.86 TLR7 (0.38) CRHR1AGTR1TLR7ALDH1A1C5AR1
SCHEMBL651025 0.86 C5AR1 (0.48) AGTR1GAATSHRTLR7MAPT
SCHEMBL650668 0.85 AGTR1 (0.38) CRHR1DRD2TBXA2RAGTR1ADORA2A
SCHEMBL651341 0.85 CRHR1 (0.42) CRHR1LPAR1LPAR5C5AR1

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