SCHEMBL29601371

SCHEMBL29601371

C=C(CC(=O)OC1(c2ccc(C(F)(F)F)c(Cl)c2)CCC1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ NOTUM Q6P988 2/20 0.35
▸ CCR2 P41597 4/20 0.33
▸ OPRM1 P35372 3/20 0.33
▸ OPRL1 P41146 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMO O15229 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ PPARD Q03181 1/20 0.31
▸ PPARA Q07869 1/20 0.31

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
SCHEMBL24397807 1.00 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3MRGPRX4NOTUM
SCHEMBL24394121 0.89 LMNA (0.33) SLC6A2SLC6A4SLC6A3MRGPRX4NOTUM
SCHEMBL24397909 0.88 HDAC1 (0.40) TRPV1
SCHEMBL29601146 0.88 HDAC1 (0.40) TRPV1
SCHEMBL24397839 0.84 MAPT (0.38) SLC6A4SLC6A3OPRM1HTTMAPT
SCHEMBL24394104 0.82 THRB (0.37) SLC6A2SLC6A4SLC6A3OPRM1OPRL1
SCHEMBL24397743 0.80 DRD2 (0.39) LMNAMAPT
SCHEMBL24397872 0.79 SLC6A3 (0.39) SLC6A2SLC6A4SLC6A3OPRM1OPRL1
SCHEMBL24397786 0.79 APP (0.38) SLC6A4SLC6A3KCNH2PPARD
SCHEMBL24398059 0.78 SLC6A3 (0.41) SLC6A2SLC6A4SLC6A3TRPV1

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-4237404-A1 NOVEL COMPOUNDS Sitryx Therapeutics Limited (GB) 2023-09-06 — — EP disclosed
WO-2022090724-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2022-05-05 — — WO disclosed
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