SCHEMBL7877014

SCHEMBL7877014

NCCC1(c2ccc(Cl)cc2)OCCO1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
TAAR1 Q96RJ0 1/20 0.36
MAOB P27338 3/20 0.36
MAOA P21397 2/20 0.36
KDM1A O60341 1/20 0.36
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL8374363 0.86 SLC6A4 (0.37) SLC6A4SLC6A3TAAR1MAOBMAOA
SCHEMBL11234154 0.83 SLC6A4 (0.35) SLC6A4SLC6A3MAOBMAOAKDM1A
SCHEMBL11536639 0.82 SLC6A4 (0.35) SLC6A4SLC6A3MAOBMAOAKDM1A
SCHEMBL28011963 0.81 MAOA (0.36) SLC6A4SLC6A3MAOBMAOAKDM1A
SCHEMBL12667546 0.81 L3MBTL1 (0.45) TAAR1MAOBMAOASMN1; SMN2TSHR
SCHEMBL1593327 0.80 ALDH1A1 (0.33) SLC6A4SLC6A3MAOBMAOAKDM1A
SCHEMBL11242024 0.79 SLC6A4 (0.33) SLC6A4SLC6A3MAOBMAOAKDM1A
SCHEMBL11239172 0.79 MAOA (0.34) SLC6A4SLC6A3MAOBMAOAKDM1A
SCHEMBL12134102 0.79 MAPK1 (0.38) SLC6A4SLC6A3MAOBMAOAKDM1A
SCHEMBL117206 0.77 MAOA (0.38) SLC6A4SLC6A3MAOBMAOAKDM1A

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