SCHEMBL6888087

SCHEMBL6888087

CC(Cc1ccncc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.60
SLC6A3 Q01959 3/20 0.60
SLC6A2 P23975 2/20 0.60
NR3C2 P08235 1/20 0.49
MAOA P21397 6/20 0.49
MAOB P27338 6/20 0.49
NISCH Q9Y2I1 6/20 0.49
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
TAAR1 Q96RJ0 2/20 0.47
CHRM1 P11229 1/20 0.47

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
Bromide SCHEMBL11693475 0.90 SLC6A2 (0.63) SLC6A4SLC6A3SLC6A2MAOAMAOB
SCHEMBL151540 0.90 ESR1 (0.52) SLC6A4SLC6A3SLC6A2NR3C2MAOA
SCHEMBL9069704 0.85 ESR1 (0.61) SLC6A4SLC6A3SLC6A2MAOAMAOB
SCHEMBL535702 0.85 TAAR1 (0.56) SLC6A4SLC6A3SLC6A2MAOAESR1
SCHEMBL8983689 0.85 TAAR1 (0.56) SLC6A4SLC6A3SLC6A2MAOAESR1
SCHEMBL14799062 0.85 TAAR1 (0.56) SLC6A4SLC6A3SLC6A2MAOAESR1
Ammonia Solution, Strong SCHEMBL5082413 0.83 TAAR1 (0.54) SLC6A4SLC6A3SLC6A2MAOAESR1
Methylamine SCHEMBL5328370 0.81 TAAR1 (0.58) SLC6A4SLC6A3SLC6A2MAOAESR1
Hydrochloric Acid SCHEMBL7266799 0.81 TAAR1 (0.52) SLC6A4SLC6A3SLC6A2MAOAESR1
SCHEMBL29167634 0.81 SLC6A3 (0.88) SLC6A4SLC6A3SLC6A2NR3C2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023171697-A1 PRODUCTION METHOD FOR FLUORINE-CONTAINING COMPOUND AGC株式会社 2023-09-14 WO disclosed
EP-0770065-B1 TRI-SUBSTITUTED PHENYL DERIVATES USEFUL AS PDE IV INHIBITORS CELLTECH R&D LTD (GB) 2004-03-31 EP disclosed
US-6077854-A Tri-substituted phenyl derivatives and processes for their preparation CELLTECH THERAPEUTICS, LIMITED (GB) 2000-06-20 US disclosed
US-5786354-A Tri-substituted phenyl derivatives and processes for their preparation CELLTECH THERAPEUTICS, LIMITED (GB) 1998-07-28 US disclosed
US-4136180-A HYPOLIPIDEMIC SUBSTITUTED STYRENESULFONYLUREAS PFIZER INC. (US) 1979-01-23 US disclosed
US-4062960-A Hypolipidemic alkenesulfonamides PFIZER INC. (US) 1977-12-13 US disclosed
US-3983107-A ARTERIOSCLEROSIS PFIZER INC. (US) 1976-09-28 US disclosed