SCHEMBL1913086

SCHEMBL1913086

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.41
DRD2 P14416 1/20 0.40
TBXA2R P21731 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
CRHR1 P34998 2/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
LPAR1 Q92633 1/20 0.37
LPAR5 Q9H1C0 1/20 0.37
C5AR1 P21730 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL648135 0.96 CRHR1 (0.44) AGTR1DRD2TBXA2RADORA2AADORA2B
SCHEMBL650306 0.93 CRHR1 (0.38) AGTR1DRD2TBXA2RADORA2AADORA2B
SCHEMBL651310 0.93 NR1H4 (0.39) AGTR1DRD2TBXA2RADORA2AADORA2B
SCHEMBL652369 0.92 CRHR1 (0.40) AGTR1DRD2TBXA2RADORA2AADORA2B
SCHEMBL648054 0.91 NR1H2 (0.39) AGTR1CRHR1TLR7
SCHEMBL651025 0.90 C5AR1 (0.48) AGTR1MAPTALDH1A1TLR7C5AR1
SCHEMBL652145 0.90 TLR7 (0.38) AGTR1CRHR1ALDH1A1TLR7C5AR1
SCHEMBL649436 0.90 C5AR1 (0.54) MAPTKDM4EALDH1A1C5AR1TSHR
SCHEMBL650668 0.90 AGTR1 (0.38) AGTR1DRD2TBXA2RADORA2AADORA2B
SCHEMBL650362 0.89 TLR7 (0.37) AGTR1CRHR1MAPTKDM4EALDH1A1

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 3 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-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