SCHEMBL7655723

SCHEMBL7655723

O=C(Cc1ccccc1F)NCCc1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ TAAR1 Q96RJ0 2/20 0.60
▸ LTA4H P09960 1/20 0.59
▸ EPHX2 P34913 1/20 0.59
▸ CNR1 P21554 1/20 0.56
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ CA1 P00915 2/20 0.53
▸ CA2 P00918 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ CA12 O43570 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ LMNA P02545 2/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ TSHR P16473 1/20 0.51

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
SCHEMBL22275810 0.84 LTA4H (0.60) L3MBTL1TAAR1LTA4HEPHX2MEN1
SCHEMBL5681870 0.80 CA12 (0.75) L3MBTL1LTA4HEPHX2CNR1MEN1
SCHEMBL20932231 0.80 HPGD (0.57) HTTTAAR1LTA4HEPHX2MEN1
SCHEMBL23083349 0.80 TAAR1 (0.54) TAAR1LTA4HEPHX2KMT2ACA1
SCHEMBL6635477 0.78 MPO (0.63) TAAR1LTA4HEPHX2CNR1CA1
SCHEMBL22275809 0.76 HPGD (0.53) HTTTAAR1LTA4HEPHX2MEN1
SCHEMBL19334423 0.76 TSHR (0.67) HTTLTA4HEPHX2CNR1MEN1
Bromide SCHEMBL20920820 0.75 HPGD (0.52) HTTTAAR1LTA4HEPHX2MEN1
SCHEMBL5574769 0.75 LMNA (0.66) HTTL3MBTL1TAAR1LTA4HEPHX2
SCHEMBL1568340 0.74 ALDH1A1 (0.70) HTTNPSR1L3MBTL1TAAR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001056974-A2 INHA INHIBITORS AND THEIR USE AS ANTIBACTERIALS GENZYME CORPORATION (US) 2001-08-09 — — WO claimed
US-6372752-B1 ENZYME INHIBITORS, RESPIRATORY SYSTEM DISORDERS, TUBERCULOSIS AND MYCOBACTERIUM BACTERICIDES GENZYME CORPORATION 2002-04-16 — — US disclosed
WO-2001056974-A2 INHA INHIBITORS AND THEIR USE AS ANTIBACTERIALS GENZYME CORPORATION (US) 2001-08-09 — — WO disclosed
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