SCHEMBL31023895

SCHEMBL31023895

CCOC(=O)N1CCC(=C(c2ccc3c(c2)COCO3)c2ccc3c(c2)COCO3)CC1.c1cc2c(cc1C(=C1CCNCC1)c1ccc3c(c1)COCO3)COCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CYP2C9 P11712 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MGLL Q99685 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ OPRM1 P35372 6/20 0.37
▸ OPRD1 P41143 6/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 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
SCHEMBL31023665 0.94 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDCYP2C9ALOX15
SCHEMBL31023851 0.90 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDCYP2C9ALOX15
SCHEMBL31023918 0.82 OPRD1 (0.36) ALDH1A1MGLLOPRM1OPRD1OPRK1
SCHEMBL31023706 0.78 OPRD1 (0.33) MGLLOPRM1OPRD1OPRK1CHRM2
SCHEMBL31023947 0.75 OPRM1 (0.41) ALDH1A1HPGDOPRM1OPRD1CHRM2
SCHEMBL31023708 0.71 MGLL (0.48) ALDH1A1KDM4EHPGDMGLLKMT2A
SCHEMBL4693977 0.68 TSHR (0.57) ALDH1A1KDM4EHPGDCYP2C19KMT2A
SCHEMBL31023711 0.67 SCD5 (0.37) HPGDMAPT
SCHEMBL9047536 0.67 ALDH1A1 (0.58) ALDH1A1KDM4ECYP2C19KMT2AOPRM1
SCHEMBL16744474 0.66 MGLL (0.51) ALDH1A1HPGDMGLLSMN1; SMN2

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-4665718-A1 SMALL MOLECULES AS MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS, COMPOSITIONS AND USE THEREOF Apogee Pharmaceuticals, Inc. (CA) 2025-12-24 — — EP disclosed
WO-2024168426-A1 SMALL MOLECULES AS MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS, COMPOSITIONS AND USE THEREOF APOGEE PHARMACEUTICALS, INC. (CA) 2024-08-22 — — WO disclosed
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