SCHEMBL651032

SCHEMBL651032

CCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CN(Cc1ccc(C(N)=O)cc1)CC1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 12/20 0.38
PTGES O14684 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
C5AR1 P21730 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
RORC P51449 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
SCHEMBL651627 0.94 PTGES (0.42) CRHR1PTGESC5AR1LTB4R2HDAC1
SCHEMBL650668 0.91 AGTR1 (0.38) CRHR1PTGESC5AR1HDAC1HDAC6
SCHEMBL649162 0.87 CRHR1 (0.46) CRHR1JAK2JAK1TYK2JAK3
SCHEMBL648691 0.85 RORC (0.41) CRHR1JAK2JAK1TYK2JAK3
SCHEMBL5137681 0.84 PTGES (0.44) PTGESC5AR1LTB4R2HDAC1HDAC6
SCHEMBL649676 0.83 CRHR1 (0.41) CRHR1JAK2JAK1TYK2JAK3
SCHEMBL651072 0.83 GPR52 (0.43) CRHR1JAK2JAK1TYK2JAK3
SCHEMBL649536 0.82 CRHR1 (0.41) CRHR1C5AR1
SCHEMBL651157 0.82 JAK2 (0.36) CRHR1JAK2JAK1TYK2JAK3
SCHEMBL5135054 0.82 C5AR1 (0.40) PTGESC5AR1LTB4R2HDAC1HDAC6

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 5 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-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