SCHEMBL30765694

SCHEMBL30765694

O=C(Cn1c(-c2ccc(O[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4O)cc2)ncc(NC(=O)c2cnc(-c3ccccc3)s2)c1=O)NCc1cc2cnccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.38
WNT3A P56704 1/20 0.34
NTRK1 P04629 2/20 0.34
AVPR1B P47901 5/20 0.34
PRKAG1 P54619 4/20 0.33
PRKAA1 Q13131 4/20 0.33
PRKAB1 Q9Y478 4/20 0.33
CYP3A4 P08684 2/20 0.33
ELANE P08246 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
BCHE P06276 1/20 0.33
PRKAB2 O43741 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
NTRK3 Q16288 1/20 0.32
F2 P00734 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 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
SCHEMBL30765913 0.94 CASP1 (0.38) CASP1WNT3ANTRK1AVPR1BCYP3A4
SCHEMBL30765696 0.87 CASP1 (0.39) CASP1WNT3ANTRK1AVPR1BELANE
SCHEMBL30765912 0.87 PRKAG1 (0.36) CASP1AVPR1BPRKAG1PRKAA1PRKAB1
SCHEMBL30765738 0.84 CASP1 (0.42) CASP1WNT3APRKAG1PRKAA1PRKAB1
SCHEMBL30765546 0.83 CASP1 (0.40) CASP1WNT3APRKAG1PRKAA1PRKAB1
SCHEMBL30765655 0.82 AVPR1B (0.36) CASP1NTRK1AVPR1BELANEBCHE
SCHEMBL30765577 0.81 AVPR1B (0.36) CASP1NTRK1AVPR1BELANEF2
SCHEMBL30765562 0.81 F2 (0.36) CASP1AVPR1BELANEF2
SCHEMBL30765632 0.78 CASP1 (0.42) CASP1NTRK1AVPR1BELANENTRK3
SCHEMBL30765555 0.78 CASP1 (0.42) CASP1WNT3ACYP3A4ELANEHDAC3

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