SCHEMBL9825532

SCHEMBL9825532

C1=CCC(C2=CCN(CCCCOc3ccc4[nH]ccc4c3)C=C2)=CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.45
HDAC1 Q13547 2/20 0.40
DRD2 P14416 4/20 0.36
DRD3 P35462 3/20 0.36
PPARD Q03181 1/20 0.35
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA10 Q9GZZ6 1/20 0.32
CHRNA9 Q9UGM1 1/20 0.32
APP P05067 1/20 0.32
PDGFRB P09619 1/20 0.31
HTR1A P08908 1/20 0.31
HRH3 Q9Y5N1 4/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL9825281 0.91 LTA4H (0.38) LTA4HHDAC1DRD2DRD3PPARD
Water SCHEMBL9825376 0.90 LTA4H (0.37) LTA4HHDAC1DRD2DRD3PPARD
SCHEMBL8908180 0.77 GRIN1 (0.36) APP
Hydrochloric Acid SCHEMBL9741845 0.67
SCHEMBL9467956 0.66
SCHEMBL9825523 0.66 HTR1A (0.54) LTA4HDRD2DRD3HTR1A
Hydrochloric Acid SCHEMBL9719843 0.65 HTR3A (0.32)
SCHEMBL30704387 0.65 HDAC1 (0.59) LTA4HHDAC1DRD2DRD3PPARD
SCHEMBL29133439 0.65 HDAC1 (0.59) LTA4HHDAC1DRD2DRD3PPARD
SCHEMBL3793622 0.64 LTA4H (0.60) LTA4HHDAC1PPARDCHRNB4CHRNA3

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
EP-0237781-B1 PHENYL AND HETEROCYCLIC TETRAHYDROPYRIDYL AND PIPERAZINYL ALKOXY-BENZHETEROCYCLIC COMPOUNDS AS ANTIPSYCHOTIC AGENTS WARNER-LAMBERT COMPANY (US) 1991-04-24 EP claimed
US-4704390-A SCHIZOPHRENIA WARNER-LAMBERT COMPANY (US) 1987-11-03 US claimed
EP-0237781-A2 Phenyl and heterocyclic tetrahydropyridyl and piperazinyl alkoxy-benzheterocyclic compounds as antipsychotic agents WARNER-LAMBERT COMPANY (US) 1987-09-23 EP claimed
EP-0237781-B1 PHENYL AND HETEROCYCLIC TETRAHYDROPYRIDYL AND PIPERAZINYL ALKOXY-BENZHETEROCYCLIC COMPOUNDS AS ANTIPSYCHOTIC AGENTS WARNER-LAMBERT COMPANY (US) 1991-04-24 EP disclosed
US-4803203-A SCHIZOPHRENIA, NEUOLEPTIC AGENTS WARNER-LAMBERT COMPANY (US) 1989-02-07 US disclosed
US-4704390-A SCHIZOPHRENIA WARNER-LAMBERT COMPANY (US) 1987-11-03 US disclosed
EP-0237781-A2 Phenyl and heterocyclic tetrahydropyridyl and piperazinyl alkoxy-benzheterocyclic compounds as antipsychotic agents WARNER-LAMBERT COMPANY (US) 1987-09-23 EP disclosed