SCHEMBL8534811

SCHEMBL8534811

N[C@H]1N=C(c2ccccc2F)c2ccccc2N(Cc2ccco2)C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
LMNA P02545 1/20 0.42
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
GABRA6 Q16445 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40
GABRG3 Q99928 1/20 0.40
GABRQ Q9UN88 1/20 0.40
ALDH1A1 P00352 7/20 0.40
CCKBR P32239 3/20 0.39

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
SCHEMBL8534807 1.00 MAPK1 (0.42) MAPK1LMNAGABRPGABRDGABRA1
SCHEMBL8533170 0.84 ALDH1A1 (0.43) MAPK1LMNAALDH1A1CCKBRCCKAR
SCHEMBL8533175 0.84 ALDH1A1 (0.43) MAPK1LMNAALDH1A1CCKBRCCKAR
SCHEMBL8535190 0.81 CCKBR (0.44) LMNAGABRPGABRDGABRA1GABRB1
SCHEMBL8535185 0.81 CCKBR (0.44) LMNAGABRPGABRDGABRA1GABRB1
SCHEMBL8538022 0.80 MEN1 (0.48) LMNAGABRPGABRDGABRA1GABRB1
SCHEMBL8538016 0.80 CCKBR (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8538017 0.80 CCKBR (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8538018 0.80 MEN1 (0.48) LMNAGABRPGABRDGABRA1GABRB1
SCHEMBL8537560 0.80 CCKBR (0.40) GABRPGABRDGABRA1GABRB1GABRG2

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
US-5763437-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US disclosed
EP-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed