SCHEMBL30202069

SCHEMBL30202069

Fc1ccccc1C1=NCC(=S)Nc2ccc(Cl)c(Cl)c21

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 13/20 0.65
ALOX12 P18054 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GABRA1 P14867 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
CHRM5 P08912 1/20 0.38

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
SCHEMBL23927128 1.00 CHRM1 (0.65) CHRM1ALOX12SMN1; SMN2LMNAALDH1A1
SCHEMBL30201999 0.88 CHRM1 (0.62) CHRM1ALOX12SMN1; SMN2LMNAALDH1A1
SCHEMBL23881593 0.88 CHRM1 (0.62) CHRM1ALOX12SMN1; SMN2LMNAALDH1A1
SCHEMBL23927146 0.87 CHRM1 (0.51) CHRM1ALOX12SMN1; SMN2LMNAALDH1A1
SCHEMBL23927112 0.86 CHRM1 (0.60) CHRM1ALOX12SMN1; SMN2LMNAALDH1A1
SCHEMBL30202003 0.86 CHRM1 (0.60) CHRM1ALOX12SMN1; SMN2LMNAALDH1A1
SCHEMBL30202032 0.85 LMNA (0.65) CHRM1LMNAGABRA1GABRA5GABRA3
SCHEMBL23927216 0.85 LMNA (0.65) CHRM1LMNAGABRA1GABRA5GABRA3
SCHEMBL11868671 0.83 CHRM1 (0.61) CHRM1ALOX12SMN1; SMN2LMNAALDH1A1
SCHEMBL7330104 0.82 CHRM1 (0.68) CHRM1ALOX12SMN1; SMN2LMNAALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4408848-A1 NEW BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. Hoffmann-La Roche AG (CH) 2024-08-07 EP disclosed
EP-4405043-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. Hoffmann-La Roche AG (CH) 2024-07-31 EP disclosed
CN-118043326-A Benzodiazepine derivatives as GABAA γ1 PAM 豪夫迈·罗氏有限公司 2024-05-14 CN disclosed
CN-118019742-A Novel benzodiazepine derivatives as GABA Aγ1 PAM 豪夫迈·罗氏有限公司 2024-05-10 CN disclosed
WO-2023052312-A1 NEW BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. HOFFMANN-LA ROCHE AG (CH) 2023-04-06 WO disclosed
WO-2023046817-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. HOFFMANN-LA ROCHE AG (CH) 2023-03-30 WO disclosed
EP-4139310-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. Hoffmann-La Roche AG (CH) 2023-03-01 EP disclosed