SCHEMBL8537876

SCHEMBL8537876

N[C@H]1N=C(c2ccccc2F)c2ccccc2N(Cc2nc3ccccc3s2)C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
MITF O75030 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
SCN9A Q15858 1/20 0.40
AKR1B1 P15121 1/20 0.38
UTS2R Q9UKP6 1/20 0.38
MAPT P10636 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 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
SCHEMBL8536543 1.00 NPC1 (0.41) NPC1MITFTP53SMN1; SMN2LMNA
SCHEMBL8535030 0.85 NPC1 (0.41) NPC1MITFTP53SMN1; SMN2LMNA
SCHEMBL8535029 0.85 NPC1 (0.41) NPC1MITFTP53SMN1; SMN2LMNA
SCHEMBL8533832 0.81 HCRTR1 (0.41) LMNAMAPTGABRPGABRDGABRA1
SCHEMBL8533830 0.81 HCRTR1 (0.41) LMNAMAPTGABRPGABRDGABRA1
SCHEMBL8534031 0.78 GABRP (0.40) NPC1LMNAMAPTGABRPGABRD
SCHEMBL8533365 0.78 DRD4 (0.46) NPC1CCKARCCKBR
SCHEMBL8535391 0.78 CCKBR (0.42) TP53GABRPGABRDGABRA1GABRB1
SCHEMBL8535394 0.78 CCKBR (0.42) TP53GABRPGABRDGABRA1GABRB1
SCHEMBL8534027 0.78 GABRP (0.40) NPC1LMNAMAPTGABRPGABRD

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