SCHEMBL13840708

SCHEMBL13840708

CC(C)(Cc1cccc(C(=O)NCCc2ccc(F)cc2Cl)c1)NC[C@H](O)c1cc(O)cc(O)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 11/20 0.45
▸ ADRB1 P08588 4/20 0.43
▸ MAPT P10636 1/20 0.42
▸ SNCA P37840 4/20 0.41
▸ IL1B P01584 1/20 0.39
▸ P2RX7 Q99572 1/20 0.39

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
SCHEMBL3918580 1.00 ADRB2 (0.45) ADRB2ADRB1MAPTSNCAIL1B
SCHEMBL13840706 0.90 PARP1 (0.46) ADRB2ADRB1MAPT
SCHEMBL3914423 0.90 PARP1 (0.46) ADRB2ADRB1MAPT
SCHEMBL5968693 0.88 ADRB2 (0.57) ADRB2ADRB1
SCHEMBL5968689 0.88 ADRB2 (0.57) ADRB2ADRB1
SCHEMBL3924678 0.88 PARP1 (0.44) ADRB2ADRB1SNCA
SCHEMBL13840701 0.88 PARP1 (0.44) ADRB2ADRB1SNCA
SCHEMBL13840801 0.85 ADRB2 (0.50) ADRB2ADRB1
SCHEMBL3922009 0.85 ADRB2 (0.50) ADRB2ADRB1
SCHEMBL3917066 0.84 NPC1 (0.47) ADRB2ADRB1MAPT

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
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