SCHEMBL30765696

SCHEMBL30765696

CO[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2Oc1ccc(-c2ncc(NC(=O)c3ccc(-c4ccccc4)s3)c(=O)n2CC(=O)NCc2cc3cnccc3[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.39
AVPR1B P47901 4/20 0.34
KCNH2 Q12809 1/20 0.34
ELANE P08246 4/20 0.34
WNT3A P56704 3/20 0.34
MAPK11 Q15759 3/20 0.33
MAPK14 Q16539 3/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPT P10636 1/20 0.33
NTRK1 P04629 1/20 0.33
BCL6 P41182 1/20 0.33
F2 P00734 1/20 0.33

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
SCHEMBL30765913 0.93 CASP1 (0.38) CASP1AVPR1BELANEWNT3ANTRK1
SCHEMBL30765694 0.87 CASP1 (0.38) CASP1AVPR1BELANEWNT3ANTRK1
SCHEMBL30765562 0.85 F2 (0.36) CASP1AVPR1BELANEF2
SCHEMBL30765577 0.85 AVPR1B (0.36) CASP1AVPR1BELANENTRK1F2
SCHEMBL30765765 0.85 CASP1 (0.43) CASP1KCNH2ELANEWNT3AMAPK11
SCHEMBL30765956 0.84 CASP1 (0.41) CASP1KCNH2ELANEWNT3AMAPK11
SCHEMBL30766007 0.81 AVPR1B (0.37) CASP1AVPR1BELANENTRK1F2
SCHEMBL30765632 0.80 CASP1 (0.42) CASP1AVPR1BELANENTRK1F2
SCHEMBL30765912 0.79 PRKAG1 (0.36) CASP1AVPR1BELANEF2
SCHEMBL30765961 0.78 NTRK1 (0.43) CASP1ELANENTRK1

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-4568666-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS Alexion Pharmaceuticals, Inc. (US) 2025-06-18 EP disclosed
WO-2024035686-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2024-02-15 WO disclosed