SCHEMBL1922887

SCHEMBL1922887

Cc1cc(OCCCC2CCN(C(=O)O)CC2)cc(C)c1Br

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ GPR119 Q8TDV5 8/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ TEAD1 P28347 1/20 0.42
▸ TEAD3 Q99594 1/20 0.42
▸ HPGD P15428 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CYP4F2 P78329 1/20 0.39
▸ CYP4A11 Q02928 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ BCHE P06276 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ MAOB P27338 1/20 0.38

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
SCHEMBL1922551 0.88 GPR119 (0.44) TSHRMAPTGPR119ALDH1A1TEAD1
SCHEMBL1295724 0.86 GPR119 (0.62) GPR119
SCHEMBL1922555 0.82 GPR119 (0.48) GPR119TEAD1TEAD3CYP4F2CYP4A11
SCHEMBL1839393 0.79 GPR119 (0.46) GPR119TEAD1TEAD3NPC1RAB9A
SCHEMBL2431556 0.79 GPR119 (0.63) GPR119CYP4F2CYP4A11
SCHEMBL1296010 0.75 GPR119 (0.61) GPR119
SCHEMBL1841877 0.75 GPR119 (0.47) GPR119
SCHEMBL4400790 0.75 MAOA (0.40) TSHRMAPTGPR119ALDH1A1TEAD1
SCHEMBL15262239 0.75 ALDH1A1 (0.47) TSHRMAPTTP53MAPK1ALDH1A1
SCHEMBL26619790 0.75 MEN1 (0.42) GPR119ALDH1A1TEAD1TEAD3NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2328867-A1 HETEROCYCLIC GPCR AGONISTS Prosidion Limited (GB) 2011-06-08 — — EP disclosed
WO-2010004347-A1 HETEROCYCLIC GPCR AGONISTS PROSIDION LIMITED (GB) 2010-01-14 — — WO disclosed
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