SCHEMBL23536161

SCHEMBL23536161

O=C(O)N1CC2(C1)CN(c1ccc(Cl)cc1F)C2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.42
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ EPHX2 P34913 4/20 0.38
▸ PHGDH O43175 1/20 0.38
▸ SPR P35270 2/20 0.38
▸ PDE4B Q07343 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ NOTUM Q6P988 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ P2RX7 Q99572 2/20 0.36
▸ CCR2 P41597 2/20 0.36
▸ CCR1 P32246 1/20 0.36
▸ CCR5 P51681 1/20 0.36

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
SCHEMBL25324666 0.89 FFAR4 (0.45) GRM5KMT2AMEN1EPHX2PHGDH
SCHEMBL29931954 0.80 USP30 (0.49) GRM5KMT2AMEN1
SCHEMBL23535945 0.80 USP30 (0.49) GRM5KMT2AMEN1
SCHEMBL1394565 0.78 SCD (0.48) GRM5NOTUMALDH1A1NPC1
Trifluoroacetic Acid SCHEMBL29931781 0.77 SLC22A12 (0.37) GRM5KMT2AMEN1NOTUMCCR2
SCHEMBL29948599 0.77 MAPT (0.43) GRM5KMT2AMEN1ALDH1A1NPC1
SCHEMBL23536467 0.75 DRD4 (0.36) GRM5KMT2AMEN1PHGDHALDH1A1
SCHEMBL29772849 0.74 CYP11B2 (0.48) GRM5KMT2AMEN1
SCHEMBL23536130 0.73 ALDH1A1 (0.42) KMT2AMEN1PHGDHALDH1A1
SCHEMBL29932056 0.73 ALDH1A1 (0.42) KMT2AMEN1PHGDHALDH1A1

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-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 — — WO disclosed
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