SCHEMBL19006550

SCHEMBL19006550

COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Br)ccc2-n2c(OC)cnc21

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 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
BRD4 O60885 2/20 0.37
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
Remimazolam SCHEMBL846435 0.91 GABRA1 (0.42) GABRA1GABRA5GABRA3GABRA2GABRB2
Remimazolam SCHEMBL23735014 0.91 GABRA1 (0.42) GABRA1GABRA5GABRA3GABRA2GABRB2
Remimazolam SCHEMBL29579211 0.91 GABRA1 (0.42) GABRA1GABRA5GABRA3GABRA2GABRB2
Remimazolam SCHEMBL29379415 0.91 GABRA1 (0.42) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL20473268 0.90 GABRA1 (0.40) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL19006524 0.90 GABRA1 (0.40) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL20473218 0.90 GABRA1 (0.40) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL19006652 0.90 GABRA1 (0.40) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL20473269 0.89 GABRA1 (0.40) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL19006568 0.89 GABRA1 (0.40) GABRA1GABRA5GABRA3GABRA2GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017101808-A1 SHORT-ACTING BENZODIAZEPINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2017-06-22 WO disclosed