SCHEMBL27158451

SCHEMBL27158451

CCOC(=O)C12CCCN1C(=C(C)C=O)CC2

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.34
OPRD1 P41143 4/20 0.34
OPRK1 P41145 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 2/20 0.33
SLC22A1 O15245 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
POLB P06746 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
SCHEMBL24176272 0.78 KDM4E (0.37) OPRM1OPRD1OPRK1KDM4ESLC22A1
SCHEMBL22220530 0.78 KDM4E (0.37) OPRM1OPRD1OPRK1KDM4ESLC22A1
SCHEMBL27660443 0.71 ALDH1A1 (0.38) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL10842293 0.69 OPRM1 (0.40) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL21265902 0.65 SMN1; SMN2 (0.38) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL6159601 0.65 ALDH1A1 (0.36) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL6159606 0.65 OPRM1 (0.42) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL29947651 0.64 OPRM1 (0.46) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL24894664 0.64 OPRM1 (0.46) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL10638484 0.64 POLB (0.40) OPRM1OPRD1OPRK1SLC22A1SLC6A4

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-4332105-A1 PYRIDINO- OR PYRIMIDO-CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-03-06 EP disclosed