SCHEMBL30329510

SCHEMBL30329510

O=C1CC2(CCN(c3cnc4cnn(CC(F)F)c4n3)CC2)CN1Cc1ccnc(C(F)(F)F)n1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 2/20 0.35
▸ HCRTR2 O43614 7/20 0.34
▸ HCRTR1 O43613 5/20 0.33
▸ GRIN2B Q13224 2/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 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
SCHEMBL25163723 1.00 GRM2 (0.35) GRM2HCRTR2HCRTR1GRIN2BGRIN1
SCHEMBL25164493 0.90 HCRTR2 (0.34) HCRTR2HCRTR1GRIN2BGRIN1
SCHEMBL30327863 0.90 HCRTR2 (0.34) HCRTR2HCRTR1GRIN2BGRIN1
SCHEMBL30328123 0.89 HCRTR2 (0.38) HCRTR2HCRTR1GRIN2BGRIN1
SCHEMBL25164818 0.89 HCRTR2 (0.38) HCRTR2HCRTR1GRIN2BGRIN1
SCHEMBL25164599 0.88 HCRTR2 (0.36) HCRTR2HCRTR1GRIN2BGRIN1CYP11B1
SCHEMBL30328204 0.88 HCRTR2 (0.36) HCRTR2HCRTR1GRIN2BGRIN1CYP11B1
SCHEMBL25164318 0.88 HCRTR2 (0.38) HCRTR2HCRTR1CYP11B1CYP11B2
SCHEMBL30328668 0.88 HCRTR2 (0.38) HCRTR2HCRTR1CYP11B1CYP11B2
SCHEMBL25164490 0.87 GRIN2B (0.42) HCRTR2HCRTR1GRIN2BGRIN1CYP11B1

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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