SCHEMBL28057724

SCHEMBL28057724

ClC(CBr)Oc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
TSHR P16473 3/20 0.36
LTA4H P09960 1/20 0.36
KCNA3 P22001 1/20 0.36
SLC6A4 P31645 4/20 0.35
PPARG P37231 6/20 0.35
PPARA Q07869 6/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A3 Q01959 3/20 0.35
TRPA1 O75762 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CA4 P22748 1/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL11802140 0.79 MTNR1A (0.39) MTNR1AMTNR1BTSHRLTA4HKCNA3
SCHEMBL3419019 0.78 POLB (0.41) MTNR1AMTNR1BTSHRLTA4HSLC6A4
SCHEMBL8108204 0.77 MTNR1A (0.42) MTNR1AMTNR1BTSHRLTA4HKCNA3
SCHEMBL6482154 0.77 TAAR1 (0.41) MTNR1AMTNR1BTSHRLTA4HKCNA3
SCHEMBL11659888 0.76 TSHR (0.39) MTNR1AMTNR1BTSHRLTA4HKCNA3
SCHEMBL15349936 0.76 LMNA (0.50) MTNR1AMTNR1BKCNA3PPARGPPARA
SCHEMBL10921611 0.74 TSHR (0.38) MTNR1AMTNR1BTSHRLTA4HKCNA3
SCHEMBL10372698 0.74 SLC6A4 (0.41) MTNR1AMTNR1BLTA4HSLC6A4PPARG
SCHEMBL1981551 0.73 TSHR (0.41) MTNR1AMTNR1BTSHRLTA4HKCNA3
SCHEMBL4093447 0.73 LMNA (0.42) MTNR1AMTNR1BTSHRLTA4HKCNA3

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-105439875-B A kind of synthetic method of compound tulobuterol 山东达因海洋生物制药股份有限公司 2017-12-29 CN disclosed
CN-105439875-A Synthesis method for compound tulobuterol SHANDONG DYNE MARINE BIOTECHNOLOGICAL PHARM HOLDINGS CO LTD 2016-03-30 CN disclosed