SCHEMBL29923310

SCHEMBL29923310

COc1cnc2c(c1)[C@H](CC(C)(C)[S+](N)[O-])CCC2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.32
MTNR1B P49286 2/20 0.32
NQO2 P16083 1/20 0.32
HTR6 P50406 1/20 0.31
KDM2B Q8NHM5 1/20 0.31
SIGMAR1 Q99720 2/20 0.31

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
SCHEMBL24916201 0.72 HPGDS (0.32) MTNR1AMTNR1BNQO2KDM2B
SCHEMBL24916120 0.72 ACHE (0.37)
Hydrochloric Acid SCHEMBL29923942 0.71 ACHE (0.36)
Hydrochloric Acid SCHEMBL29923527 0.71 ACHE (0.36)
SCHEMBL29923929 0.69 UGT2B17 (0.38) MTNR1AMTNR1BNQO2
SCHEMBL24916100 0.69 PDGFRB (0.34) MTNR1B
SCHEMBL24915886 0.67 MTNR1B (0.32) MTNR1AMTNR1BSIGMAR1
SCHEMBL24916199 0.67 MTNR1B (0.32) MTNR1AMTNR1BSIGMAR1
SCHEMBL31738551 0.63 HTR2A (0.31)
SCHEMBL29923469 0.61

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-4055013-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2022-09-14 EP disclosed