SCHEMBL14572829

SCHEMBL14572829

CCCCn1c(CN(Cc2ccc(OC(F)F)cc2)Cc2cccc(C)c2)cnc1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
BACE1 P56817 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
PPARG P37231 1/20 0.35
LMNA P02545 1/20 0.35
C5AR1 P21730 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
KCNH2 Q12809 1/20 0.34
BCHE P06276 1/20 0.34
TP53 P04637 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.33
HSD11B1 P28845 1/20 0.33
CMA1 P23946 2/20 0.33
CTRC Q99895 2/20 0.33

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
SCHEMBL650921 0.94 MEP1B (0.38) TSHRBACE1PPARDPPARAPPARG
SCHEMBL14607026 0.94 TSHR (0.40) TSHRBACE1PPARDPPARALMNA
SCHEMBL650063 0.92 BCHE (0.38) TSHRBACE1PPARDPPARAPPARG
SCHEMBL5137098 0.89 TSHR (0.44) TSHRC5AR1TP53HSD11B1CMA1
SCHEMBL651086 0.86 C5AR1 (0.52) TSHRPPARAPPARGLMNAC5AR1
SCHEMBL5137996 0.85 TSHR (0.41) TSHRPPARAPPARGC5AR1ALDH1A1
SCHEMBL5138093 0.82 TSHR (0.43) TSHRLMNAALDH1A1HTTTP53
SCHEMBL14415595 0.82 HPGD (0.44) TSHRPPARAPPARGALDH1A1BCHE
SCHEMBL5136036 0.82 TSHR (0.45) TSHRLMNAC5AR1ALDH1A1HTT
SCHEMBL5137319 0.82 TSHR (0.47) TSHRC5AR1BCHETP53HSD11B1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed