SCHEMBL9825205

SCHEMBL9825205

C1=C(c2ccccc2)CCN(CCCCOc2cccc3[nH]ccc23)C1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.68
SLC6A4 P31645 4/20 0.68
ADRA1D P25100 1/20 0.59
ADRA1A P35348 1/20 0.59
ADRA1B P35368 1/20 0.59
TDP1 Q9NUW8 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
DRD2 P14416 1/20 0.50
TSHR P16473 1/20 0.50
DRD4 P21917 1/20 0.50
CYP2C19 P33261 1/20 0.50
DRD3 P35462 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALOX15 P16050 1/20 0.49
APEX1 P27695 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL9825701 0.97 HTR1A (0.70) HTR1ASLC6A4ADRA1DADRA1AADRA1B
SCHEMBL7881150 0.85 HTR1A (0.90) HTR1ASLC6A4ADRA1DADRA1AADRA1B
SCHEMBL10968918 0.83 HTR1A (0.62) HTR1ATDP1CYP1A2CYP3A4MAPT
SCHEMBL10971132 0.81 HTR1A (0.58) HTR1ATDP1CYP1A2CYP3A4MAPT
SCHEMBL7881236 0.81 HTR1A (0.55) HTR1ASLC6A4MAPTTSHRKDM4E
SCHEMBL7884119 0.80 HTR1A (0.73) HTR1ASLC6A4ADRA1DADRA1AADRA1B
SCHEMBL10968442 0.79 DRD2 (0.55) HTR1ASLC6A4TDP1CYP1A2CYP3A4
SCHEMBL7876610 0.78 HTR1A (0.75) HTR1ASLC6A4ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7887563 0.78 HTR1A (0.72) HTR1ASLC6A4ADRA1DADRA1AADRA1B
SCHEMBL7883009 0.78 HTR1A (0.72) HTR1ASLC6A4ADRA1DADRA1AADRA1B

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