SCHEMBL648691

SCHEMBL648691

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.41
CRHR1 P34998 6/20 0.39
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
TYK2 P29597 2/20 0.38
JAK3 P52333 2/20 0.38
C5AR1 P21730 1/20 0.35
TSHR P16473 1/20 0.34
NR1H3 Q13133 1/20 0.34
MAPT P10636 1/20 0.34
HAT1 O14929 2/20 0.34
EP300 Q09472 2/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 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
SCHEMBL649676 0.94 CRHR1 (0.41) RORCCRHR1JAK2JAK1TYK2
SCHEMBL650027 0.93 CRHR1 (0.40) CRHR1C5AR1TSHRNR1H3
SCHEMBL649162 0.91 CRHR1 (0.46) CRHR1JAK2JAK1TYK2JAK3
SCHEMBL650306 0.90 CRHR1 (0.38) CRHR1C5AR1TSHRMAPTTLR7
SCHEMBL651157 0.87 JAK2 (0.36) CRHR1JAK2JAK1TYK2JAK3
SCHEMBL651341 0.87 CRHR1 (0.42) CRHR1C5AR1
SCHEMBL651072 0.86 GPR52 (0.43) CRHR1JAK2JAK1TYK2JAK3
SCHEMBL651032 0.85 CRHR1 (0.38) RORCCRHR1JAK2JAK1TYK2
SCHEMBL651093 0.84 CRHR1 (0.37) CRHR1JAK2JAK1TYK2JAK3
SCHEMBL652369 0.84 CRHR1 (0.40) CRHR1MAPTTLR7

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