SCHEMBL11224068

SCHEMBL11224068

Clc1ccc(COC(CBr)CBr)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.48
AGXT P21549 2/20 0.48
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
MAOB P27338 4/20 0.40
APP P05067 1/20 0.40
NR4A2 P43354 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MMP2 P08253 1/20 0.39
SLC6A4 P31645 2/20 0.39
CYP19A1 P11511 1/20 0.39
MAOA P21397 1/20 0.39
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL9188228 0.89 IDO1 (0.36) IDO1AGXTCHRNB2CHRNA4PPARG
SCHEMBL11233881 0.81 IDO1 (0.50) IDO1AGXTCHRNB2CHRNA4PPARG
SCHEMBL11230641 0.79 AGXT (0.48) IDO1AGXTMAOBCA1CA2
SCHEMBL11265351 0.79 RXRA (0.40) PPARGPPARAL3MBTL1KMT2A
SCHEMBL872358 0.78 TSHR (0.48) IDO1AGXTMAOBCA1CA2
SCHEMBL11232686 0.76 IDO1 (0.52) IDO1AGXTMAOBAPPCA1
SCHEMBL9466763 0.75 IDO1 (0.30) IDO1
SCHEMBL6802731 0.75 IDO1 (0.44) IDO1MAOBAPPCA1CA2
SCHEMBL10819594 0.74 IDO1 (0.52) IDO1AGXTCHRNB2CHRNA4PPARG
SCHEMBL12290347 0.73 SLC6A2 (0.44) IDO1AGXTPPARGPPARASLC6A4

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
US-4360464-A Process for production of 1-aryloxy-aminopropane derivatives TEIKOKU HORMONE MFG. CO. LTD. (JP) 1982-11-23 US disclosed
US-4018824-A ANTIULCER AND ADRENERGIC BLOCKING AGENTS TEIKOKU HORMONE MFG. CO., LTD. (JA) 1977-04-19 US disclosed