SCHEMBL9825818

SCHEMBL9825818

O=C1COc2cc(OCCCN3CCN(c4ccccc4)CC3)ccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
MAPT P10636 1/20 0.67
CYP2C9 P11712 1/20 0.67
TSHR P16473 1/20 0.67
MAPK1 P28482 1/20 0.67
CYP2C19 P33261 1/20 0.67
KMT2A Q03164 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
MAOA P21397 3/20 0.61
MAOB P27338 3/20 0.61
DRD3 P35462 7/20 0.61
DRD2 P14416 7/20 0.60
HTR1A P08908 4/20 0.58
HTR2A P28223 3/20 0.58
HRH1 P35367 2/20 0.58
TMEM97 Q5BJF2 2/20 0.58
SIGMAR1 Q99720 2/20 0.58

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
SCHEMBL9825826 0.91 MEN1 (0.67) MEN1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL10804417 0.90 DRD2 (0.62) MEN1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL9826343 0.83 MAOB (0.60) MEN1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL2216839 0.81 MAPT (1.00) MEN1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL10428489 0.80 DRD2 (0.69) MEN1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL9825893 0.78 MEN1 (0.64) MEN1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL9367086 0.77 MEN1 (0.63) MEN1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL8032044 0.77 DRD2 (0.74) MEN1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL10489928 0.77 DRD3 (0.62) MEN1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL9825278 0.76 MEN1 (0.67) MEN1CYP1A2CYP3A4CYP2D6MAPT

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-4803203-A SCHIZOPHRENIA, NEUOLEPTIC AGENTS WARNER-LAMBERT COMPANY (US) 1989-02-07 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