SCHEMBL13840804

SCHEMBL13840804

COc1ccccc1CNC(=O)Cc1cccc(CC(C)(C)NC[C@H](O)c2cc(O)cc(O)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 14/20 0.61
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
POLB P06746 1/20 0.52
ALDH1A1 P00352 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
TAAR1 Q96RJ0 1/20 0.44
CHRM3 P20309 1/20 0.43

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
SCHEMBL3921159 1.00 ADRB2 (0.61) ADRB2MEN1NPC1RAB9AKMT2A
SCHEMBL3922037 0.89 ADRB2 (0.59) ADRB2CHRM3
SCHEMBL13840798 0.88 ADRB2 (0.64) ADRB2CHRM3
SCHEMBL3923181 0.88 ADRB2 (0.64) ADRB2CHRM3
SCHEMBL13840727 0.88 ADRB2 (0.64) ADRB2MEN1KMT2ACHRM3
SCHEMBL3915158 0.88 ADRB2 (0.64) ADRB2MEN1KMT2ACHRM3
SCHEMBL3917030 0.87 ADRB2 (0.75) ADRB2CHRM3
SCHEMBL13840728 0.87 ADRB2 (0.75) ADRB2CHRM3
SCHEMBL3924136 0.86 ADRB2 (0.61) ADRB2CHRM3
SCHEMBL13840751 0.86 ADRB2 (0.66) ADRB2CHRM3

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-7538141-B2 Compounds for the treatment of diseases PFIZER INC. 2009-05-26 US disclosed
US-7538141-B2 Compounds for the treatment of diseases PFIZER INC. 2009-05-26 US disclosed