SCHEMBL29611554

SCHEMBL29611554

Clc1ccc2c(c1)C(c1ccccc1Cl)=NCCN2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.61
GABRA5 P31644 5/20 0.61
GABRA3 P34903 5/20 0.61
GABRA2 P47869 5/20 0.61
GABRB2 P47870 4/20 0.61
GABRG2 P18507 4/20 0.61
GABRB3 P28472 4/20 0.61
GABRP O00591 3/20 0.61
GABRD O14764 3/20 0.61
GABRB1 P18505 3/20 0.61
GABRA4 P48169 3/20 0.61
GABRE P78334 3/20 0.61
GABRA6 Q16445 3/20 0.61
GABRG1 Q8N1C3 3/20 0.61
GABRG3 Q99928 3/20 0.61
GABRQ Q9UN88 3/20 0.61
ALOX12 P18054 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
LMNA P02545 2/20 0.49
PGR P06401 1/20 0.49

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
SCHEMBL11467997 1.00 GABRA1 (0.61) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL11476536 0.87 CHRM1 (0.62) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL31150913 0.87 CHRM1 (0.62) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL11856202 0.87 SMN1; SMN2 (0.48) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL11037136 0.86 TAAR1 (0.46) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL11460470 0.85 CHRM1 (0.59) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL29414926 0.85 CHRM1 (0.59) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL29216194 0.82 CHRM1 (0.50) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL5094507 0.82 LMNA (0.50) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL29244859 0.81 GABRP (0.43) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112500359-B Preparation method of lorazepam intermediate 华中药业股份有限公司 2022-06-03 CN disclosed
CN-112500359-B Preparation method of lorazepam intermediate 华中药业股份有限公司 2022-06-03 CN disclosed