SCHEMBL28996136

SCHEMBL28996136

Br[Pb]Br.COc1cccc(CCN)c1

nearest known ligand 0.86

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.86
MAOB P27338 5/20 0.61
AOC3 Q16853 1/20 0.57
CHRM2 P08172 2/20 0.56
CHRM1 P11229 2/20 0.56
CHRM3 P20309 2/20 0.56
IDO1 P14902 2/20 0.54
AGXT P21549 2/20 0.54
SIGMAR1 Q99720 1/20 0.53
ACHE P22303 1/20 0.51

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
SCHEMBL30368389 1.00 TAAR1 (0.86) TAAR1MAOBAOC3CHRM2CHRM1
SCHEMBL42400 0.93 TAAR1 (1.00) TAAR1MAOBAOC3CHRM2CHRM1
Ammonia Solution, Strong SCHEMBL28996261 0.91 TAAR1 (0.96) TAAR1MAOBAOC3CHRM2CHRM1
Hydrochloric Acid SCHEMBL10917318 0.91 TAAR1 (0.96) TAAR1MAOBAOC3CHRM2CHRM1
SCHEMBL28996135 0.90 TAAR1 (0.86) TAAR1MAOBAOC3CHRM2CHRM1
Hydrochloric Acid SCHEMBL19950932 0.89 TAAR1 (0.93) TAAR1MAOBAOC3CHRM2CHRM1
SCHEMBL30631696 0.86 TAAR1 (0.86) TAAR1MAOBAOC3CHRM2CHRM1
SCHEMBL29102430 0.86 TAAR1 (0.86) TAAR1MAOBAOC3CHRM2CHRM1
SCHEMBL895673 0.82 TAAR1 (0.79) TAAR1MAOBAOC3CHRM2CHRM1
SCHEMBL8358294 0.82 TAAR1 (0.78) TAAR1MAOBAOC3

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-116084019-A Substituent regulation-based hybrid organic-inorganic perovskite crystal and synthesis method thereof 南开大学 2023-05-09 CN claimed
CN-116084019-A Substituent regulation-based hybrid organic-inorganic perovskite crystal and synthesis method thereof 南开大学 2023-05-09 CN disclosed