SCHEMBL30932098

SCHEMBL30932098

Cc1nc(N2CC(O)C2)ccc1OC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 7/20 0.38
▸ METAP2 P50579 2/20 0.38
▸ HCRTR1 O43613 2/20 0.37
▸ HCRTR2 O43614 2/20 0.37
▸ PDE2A O00408 1/20 0.34
▸ ABL1 P00519 2/20 0.33
▸ MPL P40238 1/20 0.33
▸ PIM1 P11309 1/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ EIF2AK4 Q9P2K8 1/20 0.32
▸ RBP4 P02753 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32

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
SCHEMBL23044963 1.00 PDE10A (0.38) PDE10AMETAP2HCRTR1HCRTR2PDE2A
SCHEMBL30932107 0.82 HCRTR1 (0.33) PDE10AMETAP2HCRTR1HCRTR2EIF2AK4
SCHEMBL23044952 0.82 HCRTR1 (0.33) PDE10AMETAP2HCRTR1HCRTR2EIF2AK4
SCHEMBL30932100 0.81 CNR2 (0.39) PDE10APIM1
SCHEMBL23044954 0.80 HCRTR1 (0.34) PDE10AHCRTR1HCRTR2ABL1PIM1
SCHEMBL23057529 0.73 ABL1 (0.37) HCRTR1HCRTR2ABL1MPL
SCHEMBL30932106 0.73 ABL1 (0.37) HCRTR1HCRTR2ABL1MPL
SCHEMBL22153186 0.72 PDE10A (0.35) PDE10AMETAP2PIM1
SCHEMBL17537343 0.68 PDE2A (0.35) PDE10APDE2AMPL
SCHEMBL18420934 0.67 KMT2A (0.43) —

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
CN-112409333-B Phenylpyrrolidine compounds 武汉人福创新药物研发中心有限公司 2024-06-14 — — CN disclosed
Send feedback