SCHEMBL652369

SCHEMBL652369

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.40
MC4R P32245 1/20 0.40
DRD2 P14416 1/20 0.36
TBXA2R P21731 1/20 0.36
AGTR1 P30556 1/20 0.36
LPAR1 Q92633 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
TLR7 Q9NYK1 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 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
SCHEMBL650306 0.94 CRHR1 (0.38) CRHR1MC4RDRD2TBXA2RAGTR1
SCHEMBL648135 0.93 CRHR1 (0.44) CRHR1DRD2TBXA2RAGTR1LPAR1
SCHEMBL651341 0.92 CRHR1 (0.42) CRHR1LPAR1LPAR5
SCHEMBL1913086 0.92 AGTR1 (0.41) CRHR1DRD2TBXA2RAGTR1LPAR1
SCHEMBL649676 0.91 CRHR1 (0.41) CRHR1
SCHEMBL651310 0.87 NR1H4 (0.39) CRHR1DRD2TBXA2RAGTR1LPAR1
SCHEMBL650027 0.85 CRHR1 (0.40) CRHR1AGTR1LPAR1LPAR5
SCHEMBL1913039 0.84 CRHR1 (0.47) CRHR1AGTR1LPAR1LPAR5
SCHEMBL651025 0.84 C5AR1 (0.48) AGTR1UBE2MDCUN1D1TLR7ALDH1A1
SCHEMBL652145 0.84 TLR7 (0.38) CRHR1AGTR1TLR7ALDH1A1

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