SCHEMBL13840706

SCHEMBL13840706

CC(C)(Cc1cccc(C(=O)NCCc2ccccc2Cl)c1)NC[C@H](O)c1cc(O)cc(O)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.46
▸ ADRB2 P07550 13/20 0.45
▸ HIF1A Q16665 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ ADRB1 P08588 3/20 0.41
▸ TRPV1 Q8NER1 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
SCHEMBL3914423 1.00 PARP1 (0.46) PARP1ADRB2HIF1AMAPTADRB1
SCHEMBL13840708 0.90 ADRB2 (0.45) ADRB2MAPTADRB1
SCHEMBL3918580 0.90 ADRB2 (0.45) ADRB2MAPTADRB1
SCHEMBL13840707 0.88 ADRB2 (0.43) PARP1ADRB2HIF1AADRB1
SCHEMBL3916802 0.88 ADRB2 (0.43) PARP1ADRB2HIF1AADRB1
SCHEMBL13840696 0.87 NPC1 (0.47) PARP1ADRB2MAPTADRB1
SCHEMBL3917066 0.87 NPC1 (0.47) PARP1ADRB2MAPTADRB1
SCHEMBL4391611 0.87 ADRB2 (0.62) ADRB2HIF1AADRB1
SCHEMBL4391614 0.87 ADRB2 (0.62) ADRB2HIF1AADRB1
SCHEMBL6533992 0.85 ADRB2 (0.49) PARP1ADRB2ADRB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730141-B1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LTD (GB) 2009-05-27 — — EP disclosed
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
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