SCHEMBL29923929

SCHEMBL29923929

COc1cnc2c(c1)C(O)CCC2

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
UGT2B17 O75795 2/20 0.38
GRM5 P41594 3/20 0.36
PDK2 Q15119 1/20 0.34
MTNR1B P49286 2/20 0.33
MTNR1A P48039 2/20 0.33
NQO2 P16083 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
SCHEMBL24915886 0.82 MTNR1B (0.32) MTNR1BMTNR1A
SCHEMBL24916199 0.82 MTNR1B (0.32) MTNR1BMTNR1A
SCHEMBL24916120 0.81 ACHE (0.37)
SCHEMBL24916100 0.81 PDGFRB (0.34) MTNR1B
Hydrochloric Acid SCHEMBL29923942 0.80 ACHE (0.36)
Hydrochloric Acid SCHEMBL29923527 0.80 ACHE (0.36)
SCHEMBL24916201 0.79 HPGDS (0.32) PDK2MTNR1BMTNR1ANQO2
SCHEMBL10376874 0.79 UGT2B17 (0.53) UGT2B17GRM5
SCHEMBL20554141 0.76 UGT2B17 (0.38) UGT2B17GRM5
SCHEMBL15309331 0.76 UGT2B17 (0.38) UGT2B17GRM5

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