SCHEMBL8535348

SCHEMBL8535348

Cc1cccnc1CN1C(=O)[C@@H](N)N=C(c2ccccc2F)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 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
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41

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
SCHEMBL8535344 1.00 TP53 (0.42) TP53LMNAPOLBMAPTGABRP
SCHEMBL8535401 0.87 CCKBR (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8535409 0.87 CCKBR (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8775246 0.86 CCKBR (0.41) LMNAPOLBMAPTGABRPGABRD
SCHEMBL8537754 0.86 CCKBR (0.41) LMNAPOLBMAPTGABRPGABRD
SCHEMBL8536312 0.85 TP53 (0.40) TP53LMNAPOLBMAPTADORA2A
SCHEMBL8537384 0.85 CCKBR (0.43) CCKBRCCKAR
SCHEMBL8537391 0.85 CCKBR (0.43) CCKBRCCKAR
SCHEMBL8538018 0.84 MEN1 (0.48) LMNAGABRPGABRDGABRA1GABRB1
SCHEMBL8538022 0.84 MEN1 (0.48) LMNAGABRPGABRDGABRA1GABRB1

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 3 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
WO-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed