SCHEMBL25226608

SCHEMBL25226608

C[C@H]1CC[C@@H](Nc2ncc(C(F)(F)F)cn2)CN1C(=O)NNc1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 14/20 0.41
▸ HCRTR2 O43614 10/20 0.41
▸ TRPM8 Q7Z2W7 1/20 0.41
▸ CHRM4 P08173 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ AR P10275 1/20 0.39

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
SCHEMBL30397591 1.00 HCRTR1 (0.41) HCRTR1HCRTR2TRPM8CHRM4TRPV1
SCHEMBL30397933 0.79 PTGDR2 (0.42) HCRTR1HCRTR2
SCHEMBL30397528 0.76 PTGDR2 (0.39) HCRTR1HCRTR2TRPV1
SCHEMBL25228876 0.76 PTGDR2 (0.39) HCRTR1HCRTR2TRPV1
SCHEMBL25419552 0.65 MAPK8 (0.40) HCRTR1HCRTR2
SCHEMBL27233710 0.64 CDK12 (0.56) HCRTR1
SCHEMBL27233778 0.64 CDK12 (0.56) HCRTR1
SCHEMBL27233705 0.64 CDK12 (0.56) HCRTR1
SCHEMBL23292270 0.64 USP30 (0.51) TRPV1
SCHEMBL22895379 0.64 USP30 (0.51) TRPV1

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
WO-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 — — WO disclosed
WO-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 — — WO disclosed
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