SCHEMBL30328282

SCHEMBL30328282

Cc1cnc(C(F)(F)F)nc1N1CC2(CCNCC2)CC1=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACACA Q13085 10/20 0.37
▸ ACACB O00763 6/20 0.37
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ GRM5 P41594 3/20 0.32
▸ OPRL1 P41146 2/20 0.32
▸ OPRM1 P35372 2/20 0.31
▸ TSHR P16473 1/20 0.30

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
Hydrochloric Acid SCHEMBL30329266 0.80 OPRL1 (0.41) ACACAACACBGRM5OPRL1OPRM1
SCHEMBL30327913 0.79 ACACB (0.42) ACACAACACB
Hydrochloric Acid SCHEMBL30328975 0.77 TYK2 (0.41) JAK2JAK1TYK2JAK3
SCHEMBL30328553 0.76 PIM1 (0.36) JAK2JAK1TYK2JAK3TSHR
Hydrochloric Acid SCHEMBL30328124 0.74 OPRL1 (0.47) OPRL1OPRM1
SCHEMBL25164772 0.72 CYP11B1 (0.32) ACACAACACB
SCHEMBL30329301 0.71 OPRL1 (0.45) ACACAACACBGRM5OPRL1OPRM1
Hydrochloric Acid SCHEMBL30328583 0.70 TSHR (0.39) OPRL1OPRM1TSHR
Hydrochloric Acid SCHEMBL30329056 0.70 OPRL1 (0.44) ACACAACACBGRM5OPRL1OPRM1
Hydrochloric Acid SCHEMBL30327686 0.70 GRM5 (0.46) ACACAACACBGRM5OPRL1OPRM1

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-4415706-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-08-21 — — EP disclosed
WO-2023064343-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 — — WO disclosed
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