SCHEMBL30295385

SCHEMBL30295385

CC(=O)NCCc1c[nH]c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 15/20 0.60
▸ MTNR1B P49286 14/20 0.60
▸ NOTUM Q6P988 3/20 0.60
▸ CYP1A2 P05177 3/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ NQO2 P16083 3/20 0.60
▸ KDM4E B2RXH2 2/20 0.60
▸ CYP3A4 P08684 2/20 0.60
▸ CYP2D6 P10635 2/20 0.60
▸ HPGD P15428 2/20 0.60
▸ BLM P54132 2/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ CYP1A1 P04798 1/20 0.60
▸ MPO P05164 1/20 0.60
▸ HTR1A P08908 1/20 0.60
▸ HTR2B P41595 1/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ PMP22 Q01453 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ CYP1B1 Q16678 1/20 0.60

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
SCHEMBL30295239 1.00 MTNR1A (0.60) MTNR1AMTNR1BNOTUMCYP1A2ALDH1A1
SCHEMBL27085139 1.00 MTNR1A (0.60) MTNR1AMTNR1BNOTUMCYP1A2ALDH1A1
SCHEMBL25101135 1.00 MTNR1A (0.60) MTNR1AMTNR1BNOTUMCYP1A2ALDH1A1
SCHEMBL25101193 1.00 MTNR1A (0.60) MTNR1AMTNR1BNOTUMCYP1A2ALDH1A1
SCHEMBL27085124 0.93 MTNR1A (0.60) MTNR1AMTNR1BNOTUMCYP1A2ALDH1A1
SCHEMBL30630322 0.89 MTNR1A (0.62) MTNR1AMTNR1BNOTUMCYP1A2ALDH1A1
SCHEMBL27085225 0.89 MTNR1A (0.62) MTNR1AMTNR1BNOTUMCYP1A2ALDH1A1
SCHEMBL15902786 0.89 HTR2A (0.56) KDM4ECYP2D6MEN1MPOKMT2A
SCHEMBL15902334 0.89 HTR2A (0.56) KDM4ECYP2D6MEN1MPOKMT2A
SCHEMBL30295376 0.88 MTNR1A (0.53) MTNR1AMTNR1BNOTUMCYP1A2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4392037-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS Boyce Thompson Institute for Plant Research Inc. (US) 2024-07-03 — — EP disclosed
WO-2023028350-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS BOYCE THOMPSON INSTITUTE FOR PLANT RESEARCH, INC. (US) 2023-03-02 — — WO disclosed
Send feedback