SCHEMBL30532010

SCHEMBL30532010

CC1CC2(CC[C@@H]1NCc1ccccc1)OCCO2

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.45
OPRM1 P35372 2/20 0.40
OPRL1 P41146 2/20 0.40
KDM1A O60341 2/20 0.40
MAOA P21397 1/20 0.40
EBP Q15125 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
GRIN2B Q13224 1/20 0.37
GRM2 Q14416 1/20 0.36
GRM3 Q14832 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
SCHEMBL13819197 1.00 FUCA1 (0.45) FUCA1OPRM1OPRL1KDM1AMAOA
SCHEMBL17652148 1.00 FUCA1 (0.45) FUCA1OPRM1OPRL1KDM1AMAOA
SCHEMBL26319083 1.00 FUCA1 (0.45) FUCA1OPRM1OPRL1KDM1AMAOA
SCHEMBL3507722 1.00 FUCA1 (0.45) FUCA1OPRM1OPRL1KDM1AMAOA
SCHEMBL31363766 0.85 KDM1A (0.44) KDM1AMAOA
SCHEMBL1134383 0.81 FUCA1 (0.42) FUCA1OPRM1OPRL1KDM1AMAOA
SCHEMBL1134381 0.81 FUCA1 (0.42) FUCA1OPRM1OPRL1KDM1AMAOA
SCHEMBL1134382 0.81 FUCA1 (0.42) FUCA1OPRM1OPRL1KDM1AMAOA
SCHEMBL803482 0.77 OPRM1 (0.56) OPRM1OPRL1GRIN2B
SCHEMBL9729099 0.77 CCR1 (0.40) SIGMAR1GRM2GRM3

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-4479137-A1 IRAK4 INHIBITORS Astrazeneca AB (SE) 2024-12-25 EP disclosed
WO-2023152349-A1 IRAK4 INHIBITORS ASTRAZENECA AB (SE) 2023-08-17 WO disclosed