SCHEMBL31638498

SCHEMBL31638498

CC(C)(C)OC(=O)N[C@H]1CN(c2ncc(Br)cn2)C[C@@H]1O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 7/20 0.43
▸ EIF2AK4 Q9P2K8 1/20 0.41
▸ OPRK1 P41145 7/20 0.40
▸ ACACB O00763 5/20 0.40
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37

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
SCHEMBL29749147 0.85 RET (0.53) RETEIF2AK4OPRK1ACACB
SCHEMBL20474685 0.85 JAK3 (0.44) ACACB
SCHEMBL30124167 0.81 RET (0.41) RETEIF2AK4OPRK1OPRM1OPRD1
SCHEMBL951251 0.79 PDE10A (0.50) —
SCHEMBL951253 0.79 PDE10A (0.50) —
SCHEMBL31271961 0.79 PDE10A (0.50) —
SCHEMBL147265 0.78 DPP4 (0.35) EIF2AK4ACACB
SCHEMBL147266 0.78 DPP4 (0.35) EIF2AK4ACACB
SCHEMBL1721356 0.78 DPP4 (0.35) EIF2AK4ACACB
SCHEMBL25010054 0.78 RET (0.46) RETEIF2AK4OPRK1ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025137267-A1 MODULATORS OF TNF-ALPHA ACTIVITY FORWARD THERAPEUTICS, INC. (US) 2025-06-26 — — WO disclosed
Send feedback