SCHEMBL24529966

SCHEMBL24529966

O=C(c1cccc(C2(O)COC2)c1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.58
▸ OPRL1 P41146 2/20 0.56
▸ PRKAB2 O43741 4/20 0.54
▸ PRKAG1 P54619 4/20 0.54
▸ PRKAA2 P54646 4/20 0.54
▸ PRKAA1 Q13131 4/20 0.54
▸ PRKAG3 Q9UGI9 4/20 0.54
▸ PRKAG2 Q9UGJ0 4/20 0.54
▸ PRKAB1 Q9Y478 4/20 0.54
▸ MEN1 O00255 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ STAT3 P40763 1/20 0.51
▸ CYP3A4 P08684 1/20 0.49

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
SCHEMBL29716517 0.91 SIGMAR1 (0.52) SIGMAR1OPRL1MEN1LMNATSHR
SCHEMBL24529883 0.88 SIGMAR1 (0.66) SIGMAR1OPRL1PRKAB2PRKAG1PRKAA2
SCHEMBL24529983 0.84 MGLL (0.55) —
SCHEMBL29716308 0.82 RHOC (0.54) LMNAKMT2A
SCHEMBL24529795 0.82 RHOC (0.54) LMNAKMT2A
SCHEMBL29716268 0.82 SIGMAR1 (0.58) SIGMAR1OPRL1PRKAB2PRKAG1PRKAA2
SCHEMBL24529969 0.82 SIGMAR1 (0.58) SIGMAR1OPRL1PRKAB2PRKAG1PRKAA2
SCHEMBL29844154 0.81 RBP4 (0.49) LMNA
SCHEMBL23577525 0.81 RBP4 (0.49) LMNA
SCHEMBL1218956 0.81 SIGMAR1 (0.68) SIGMAR1PRKAB2PRKAG1PRKAA2PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022130352-A1 NOVEL COMPOUNDS SUITABLE FOR THE TREATMENT OF DYSLIPIDEMIA CADILA HEALTHCARE LIMITED (IN) 2022-06-23 — — WO claimed
WO-2022130352-A1 NOVEL COMPOUNDS SUITABLE FOR THE TREATMENT OF DYSLIPIDEMIA CADILA HEALTHCARE LIMITED (IN) 2022-06-23 — — WO disclosed
WO-2022130352-A1 NOVEL COMPOUNDS SUITABLE FOR THE TREATMENT OF DYSLIPIDEMIA CADILA HEALTHCARE LIMITED (IN) 2022-06-23 — — WO disclosed
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