SCHEMBL7868637

SCHEMBL7868637

CCOC(=O)CCc1nccn1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.52
HSP90AB1 P08238 1/20 0.52
HSP90B1 P14625 1/20 0.52
AGTR1 P30556 1/20 0.51
AGTR2 P50052 1/20 0.51
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
HDAC1 Q13547 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL21208597 0.87 OPRM1 (0.51) HSP90AA1HSP90AB1HSP90B1AGTR1AGTR2
Hydrochloric Acid SCHEMBL7016527 0.86 OPRM1 (0.50) HSP90AA1HSP90AB1HSP90B1AGTR1AGTR2
SCHEMBL20068591 0.86 FPR2 (0.47) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL30406199 0.83 OPRM1 (0.47) HSP90AA1HSP90AB1HSP90B1AGTR1AGTR2
SCHEMBL10621322 0.83 HSP90AA1 (0.60) HSP90AA1HSP90AB1HSP90B1AGTR1AGTR2
Hydrochloric Acid SCHEMBL7877038 0.81 HSP90AA1 (0.59) HSP90AA1HSP90AB1HSP90B1AGTR1AGTR2
SCHEMBL7333812 0.80 HSP90AA1 (0.58) HSP90AA1HSP90AB1HSP90B1AGTR1AGTR2
SCHEMBL7875315 0.80 OPRD1 (0.49) HSP90AA1HSP90AB1HSP90B1AGTR1AGTR2
SCHEMBL17889253 0.78 ESR1 (0.45) SMN1; SMN2
SCHEMBL5292839 0.78 HSP90AA1 (0.61) HSP90AA1HSP90AB1HSP90B1AGTR1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326500-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS ABBOTT LABORATORIES 2001-12-04 US disclosed
US-6215001-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS, AND ANTIALLERGENS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed
US-6031109-A Phenoxy-, phenylthio-, benzoyl-alkyleneaminoalkylene-imidazole derivatives as therapeutic agents KNOLL AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
US-5780642-A NON-STEROIDAL ANTIINFLAMMATORY AGENT WHICH BLOCKS RELEASE OF ARACHIDONIC ACID FROM PHOSPHOLIPIDS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO disclosed