SCHEMBL30202034

SCHEMBL30202034

Fc1cccc(F)c1C1=NCc2nnc(-c3cccnn3)n2-c2ccc(Cl)c(Cl)c21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.38
PTAFR P25105 2/20 0.34
GABRA1 P14867 7/20 0.33
GABRA5 P31644 7/20 0.33
GABRA2 P47869 7/20 0.33
GABRA3 P34903 6/20 0.33
OPRK1 P41145 2/20 0.33
GABRG2 P18507 1/20 0.33
HTR2A P28223 1/20 0.33
GABRB3 P28472 1/20 0.33
ADRA1A P35348 1/20 0.33
PDE4D Q08499 1/20 0.33
GABRB2 P47870 6/20 0.33
TSHR P16473 1/20 0.32
BRD4 O60885 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
CNR1 P21554 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL23927178 1.00 P2RX7 (0.38) P2RX7PTAFRGABRA1GABRA5GABRA2
SCHEMBL23927162 0.91 PTAFR (0.36) P2RX7PTAFRGABRA1GABRA5GABRA2
SCHEMBL30201932 0.91 PTAFR (0.36) P2RX7PTAFRGABRA1GABRA5GABRA2
SCHEMBL30202054 0.90 GABRA1 (0.35) P2RX7PTAFRGABRA1GABRA5GABRA2
SCHEMBL23927142 0.90 PTAFR (0.37) P2RX7PTAFRGABRA1GABRA5GABRA2
SCHEMBL30201948 0.90 PTAFR (0.37) P2RX7PTAFRGABRA1GABRA5GABRA2
SCHEMBL23927172 0.90 GABRA1 (0.35) P2RX7PTAFRGABRA1GABRA5GABRA2
SCHEMBL23927164 0.90 PTAFR (0.43) P2RX7PTAFRGABRA1GABRA5GABRA2
SCHEMBL30202016 0.90 PTAFR (0.43) P2RX7PTAFRGABRA1GABRA5GABRA2
SCHEMBL23927170 0.89 P2RX7 (0.35) P2RX7PTAFRGABRA1GABRA5GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4139310-B1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM HOFFMANN LA ROCHE (CH) 2024-03-27 EP claimed
EP-4139310-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. Hoffmann-La Roche AG (CH) 2023-03-01 EP claimed
EP-4139310-B1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM HOFFMANN LA ROCHE (CH) 2024-03-27 EP disclosed
EP-4139310-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. Hoffmann-La Roche AG (CH) 2023-03-01 EP disclosed
CN-115667262-A Benzodiazepine derivatives as GABAA γ 1PAM 豪夫迈·罗氏有限公司 2023-01-31 CN disclosed