SCHEMBL7873831

SCHEMBL7873831

Cc1ccc(OCCNCCCn2ccnc2)cc1C

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.79
▸ KMT2A Q03164 4/20 0.61
▸ GAA P10253 2/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ DRD2 P14416 1/20 0.57
▸ DRD4 P21917 1/20 0.57
▸ DRD3 P35462 1/20 0.57
▸ QPCT Q16769 1/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ TP53 P04637 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54

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
SCHEMBL9265105 0.93 HTT (0.68) HTTKMT2AGAAKDM4ELMNA
SCHEMBL7875213 0.82 KDM4E (0.61) HTTKMT2AGAAKDM4ELMNA
SCHEMBL7868580 0.81 PKM (0.64) KMT2AKDM4ELMNADRD2DRD4
SCHEMBL7868645 0.81 CACNA1B (0.61) KMT2AKDM4ELMNAQPCTMEN1
SCHEMBL13246337 0.81 QPCT (0.78) HTTKMT2AKDM4ELMNAQPCT
SCHEMBL7876962 0.81 TBXAS1 (0.69) KMT2AKDM4ELMNADRD2DRD4
Hydrochloric Acid SCHEMBL7873875 0.81 PKM (0.63) KMT2AKDM4ELMNADRD2DRD4
Hydrochloric Acid SCHEMBL7879599 0.81 MEN1 (0.59) KMT2AGAAKDM4ELMNADRD2
Hydrochloric Acid SCHEMBL7876983 0.81 CACNA1B (0.60) KMT2AKDM4ELMNAQPCTMEN1
SCHEMBL13246341 0.81 QPCT (0.76) HTTKMT2AKDM4ELMNAQPCT

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 6 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
EP-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 — — EP disclosed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 — — WO disclosed
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