SCHEMBL31023898

SCHEMBL31023898

N#Cc1ncn(C(=O)N2CC3(CCN(C(c4ccc5c(c4)COCO5)c4ccc5c(c4)COCO5)CC3)C2)n1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 7/20 0.32
▸ CYP2D6 P10635 6/20 0.32
▸ TSHR P16473 5/20 0.32
▸ USP2 O75604 5/20 0.31
▸ CYP3A4 P08684 5/20 0.31
▸ CYP2C9 P11712 3/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ FAAH O00519 1/20 0.30
▸ MGLL Q99685 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL31023893 1.00 CYP1A2 (0.32) CYP1A2CYP2D6TSHRUSP2CYP3A4
SCHEMBL31023703 0.96 CYP1A2 (0.33) CYP1A2CYP2D6TSHRUSP2CYP3A4
SCHEMBL31023955 0.95 CYP2D6 (0.34) CYP1A2CYP2D6TSHRUSP2CYP3A4
SCHEMBL31023818 0.94 CYP2D6 (0.33) CYP1A2CYP2D6TSHRUSP2CYP3A4
SCHEMBL31023638 0.93 CYP3A4 (0.34) CYP1A2CYP2D6TSHRUSP2CYP3A4
SCHEMBL31023873 0.93 — —
SCHEMBL31023760 0.90 MGLL (0.36) ALDH1A1FAAHMGLL
SCHEMBL31023640 0.84 FAAH (0.37) FAAHMGLL
SCHEMBL31023830 0.84 FAAH (0.31) FAAHMGLL
SCHEMBL31023785 0.80 MGLL (0.51) FAAHMGLL

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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