SCHEMBL31495376

SCHEMBL31495376

COC[C@@H]1N[C@@H](C)CN(Cc2ccccc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GRM2 Q14416 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
PKM P14618 2/20 0.39
GAA P10253 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
CCR5 P51681 1/20 0.39
CACNA2D1 P54289 1/20 0.38
BRD4 O60885 1/20 0.38
PREP P48147 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38

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
SCHEMBL22506584 0.88 GRM2 (0.44) OPRK1GRM2HPGDTSHRPKM
SCHEMBL5881507 0.80 DDB1 (0.46) MEN1KMT2AGRM2HPGDTSHR
SCHEMBL4678690 0.80 DDB1 (0.46) MEN1KMT2AGRM2HPGDTSHR
SCHEMBL1006409 0.80 DDB1 (0.46) MEN1KMT2AGRM2HPGDTSHR
SCHEMBL25095964 0.78 ALDH1A1 (0.49) GRM2HPGDTSHRGAACACNA2D1
SCHEMBL29256943 0.78 ALDH1A1 (0.49) GRM2HPGDTSHRGAACACNA2D1
SCHEMBL29256945 0.78 ALDH1A1 (0.49) GRM2HPGDTSHRGAACACNA2D1
SCHEMBL14033005 0.77 OPRK1 (0.61) OPRK1KMT2APKMGAACCR5
SCHEMBL2305283 0.74 GRM2 (0.47) MEN1KMT2AGRM2HPGDTSHR
SCHEMBL22756720 0.72 GRM2 (0.41) MEN1KMT2AGRM2HPGDTSHR

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
EP-4549438-A1 FIVE-MEMBERED AND SIX-MEMBERED NITROGEN-CONTAINING COMPOUND, AND INTERMEDIATE, PREPARATION METHOD AND USE THEREOF Hangzhou Synrx Therapeutics Biomedical Technology Co., Ltd. (CN) 2025-05-07 EP disclosed