SCHEMBL9772964

SCHEMBL9772964

CC(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)NCC(O)c1ccc2nnnn2c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 9/20 0.49
ADRB2 P07550 5/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LTA4H P09960 2/20 0.47
PLA2G2A P14555 2/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
ADRB1 P08588 5/20 0.46
POLB P06746 1/20 0.45
TRPM8 Q7Z2W7 3/20 0.43
HTR1D P28221 2/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
SLC6A4 P31645 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41

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
SCHEMBL9773092 1.00 ADRB3 (0.49) ADRB3ADRB2MEN1KMT2ALTA4H
SCHEMBL9772978 1.00 ADRB3 (0.49) ADRB3ADRB2MEN1KMT2ALTA4H
SCHEMBL9773015 0.88 ADRB3 (0.52) ADRB3ADRB2ADRB1
SCHEMBL9773025 0.88 ADRB3 (0.52) ADRB3ADRB2ADRB1
SCHEMBL9773100 0.88 ADRB3 (0.52) ADRB3ADRB2ADRB1
SCHEMBL9773081 0.85 ADRB3 (0.58) ADRB3ADRB2ADRB1
SCHEMBL9773077 0.85 ADRB3 (0.58) ADRB3ADRB2ADRB1
SCHEMBL9773063 0.81 LTA4H (0.53) ADRB3ADRB2MEN1KMT2ALTA4H
SCHEMBL9773034 0.81 LTA4H (0.53) ADRB3ADRB2MEN1KMT2ALTA4H
SCHEMBL9773026 0.81 LTA4H (0.53) ADRB3ADRB2MEN1KMT2ALTA4H

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
US-5030640-A Alpha-heterocyclic ethanolamino alkylindoles, growth promoters and feed efficiency agents for animals, bronchodilators, antidepressants, antiobesity agents MERCK & CO., INC. (US) 1991-07-09 US disclosed