SCHEMBL7876962

SCHEMBL7876962

c1ccc(OCCNCCCn2ccnc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.69
DRD2 P14416 1/20 0.59
DRD4 P21917 1/20 0.59
DRD3 P35462 1/20 0.59
CACNA1B Q00975 2/20 0.59
QPCT Q16769 1/20 0.57
LTA4H P09960 1/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 1/20 0.56
ATM Q13315 1/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
NOS1 P29475 1/20 0.56

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
SCHEMBL7877011 0.90 QPCT (0.66) TBXAS1CACNA1BQPCTLTA4HKMT2A
Hydrochloric Acid SCHEMBL7873760 0.88 QPCT (0.63) TBXAS1CACNA1BQPCTLTA4HKMT2A
SCHEMBL12045305 0.87 TBXAS1 (0.84) TBXAS1CACNA1BQPCTLTA4HKMT2A
SCHEMBL7868580 0.87 PKM (0.64) DRD2DRD4DRD3QPCTKMT2A
SCHEMBL7868645 0.87 CACNA1B (0.61) CACNA1BQPCTKMT2AMEN1ATM
Hydrochloric Acid SCHEMBL7879599 0.86 MEN1 (0.59) TBXAS1DRD2DRD4DRD3QPCT
Hydrochloric Acid SCHEMBL7876983 0.86 CACNA1B (0.60) CACNA1BQPCTKMT2AMEN1ATM
Hydrochloric Acid SCHEMBL7873875 0.86 PKM (0.63) DRD2DRD4DRD3QPCTKMT2A
Hydrochloric Acid SCHEMBL9996074 0.86 TBXAS1 (0.82) TBXAS1CACNA1BQPCTLTA4HKMT2A
SCHEMBL12045307 0.86 TBXAS1 (0.82) TBXAS1KMT2AMEN1KDM4ELMNA

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